3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine

C115H114N42O14S13 — CID 159688906

IUPAC3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine
SMILESCC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(C)(C)Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(-c2cnc(N)s2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CC2CCC2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCC2CCNCC2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1
InChIInChI=1S/C22H25N7O2S2.C20H20N6O2S2.C19H21N7O2S2.C18H14N8O2S3.2C18H17N7O3S2/c1-33(30,31)20-14(6-5-13-9-11-24-12-10-13)7-8-15(18(20)21-26-28-29-27-21)16-3-2-4-17-19(16)25-22(23)32-17;1-30(27,28)18-12(10-11-4-2-5-11)8-9-13(16(18)19-23-25-26-24-19)14-6-3-7-15-17(14)22-20(21)29-15;1-19(2,3)9-10-7-8-11(12-5-4-6-13-15(12)22-18(20)29-13)14(16(10)30(21,27)28)17-23-25-26-24-17;1-31(27,28)15-10(12-7-21-17(19)30-12)6-5-8(13(15)16-23-25-26-24-16)9-3-2-4-11-14(9)22-18(20)29-11;2*1-9(26)5-6-10-7-8-11(12-3-2-4-13-15(12)21-18(19)29-13)14(16(10)30(20,27)28)17-22-24-25-23-17/h2-4,7-8,13,24H,5-6,9-12H2,1H3,(H2,23,25)(H,26,27,28,29);3,6-9,11H,2,4-5,10H2,1H3,(H2,21,22)(H,23,24,25,26);4-8H,9H2,1-3H3,(H2,20,22)(H2,21,27,28)(H,23,24,25,26);2-7H,1H3,(H2,19,21)(H2,20,22)(H,23,24,25,26);2*2-4,7-8H,5-6H2,1H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25)
InChIKeyMWDUUUDCCSXLRI-UHFFFAOYSA-N
MW2725.33 g/mol
LogP16.12
Rot. Bonds31

About 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine

3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine (PubChem CID 159688906) has the molecular formula C115H114N42O14S13 and a molecular weight of 2725.33 g/mol. Its IUPAC name is 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine
PubChem CID159688906
Molecular FormulaC115H114N42O14S13
Molecular Weight2725.33 g/mol
Exact Mass2722.59
IUPAC Name3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine
SMILESCC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(C)(C)Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(-c2cnc(N)s2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CC2CCC2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCC2CCNCC2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1
InChIInChI=1S/C22H25N7O2S2.C20H20N6O2S2.C19H21N7O2S2.C18H14N8O2S3.2C18H17N7O3S2/c1-33(30,31)20-14(6-5-13-9-11-24-12-10-13)7-8-15(18(20)21-26-28-29-27-21)16-3-2-4-17-19(16)25-22(23)32-17;1-30(27,28)18-12(10-11-4-2-5-11)8-9-13(16(18)19-23-25-26-24-19)14-6-3-7-15-17(14)22-20(21)29-15;1-19(2,3)9-10-7-8-11(12-5-4-6-13-15(12)22-18(20)29-13)14(16(10)30(21,27)28)17-23-25-26-24-17;1-31(27,28)15-10(12-7-21-17(19)30-12)6-5-8(13(15)16-23-25-26-24-16)9-3-2-4-11-14(9)22-18(20)29-11;2*1-9(26)5-6-10-7-8-11(12-3-2-4-13-15(12)21-18(19)29-13)14(16(10)30(20,27)28)17-22-24-25-23-17/h2-4,7-8,13,24H,5-6,9-12H2,1H3,(H2,23,25)(H,26,27,28,29);3,6-9,11H,2,4-5,10H2,1H3,(H2,21,22)(H,23,24,25,26);4-8H,9H2,1-3H3,(H2,20,22)(H2,21,27,28)(H,23,24,25,26);2-7H,1H3,(H2,19,21)(H2,20,22)(H,23,24,25,26);2*2-4,7-8H,5-6H2,1H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25)
InChIKeyMWDUUUDCCSXLRI-UHFFFAOYSA-N
XLogP16.12
TPSA928.20 Ų
H-Bond Donors17
H-Bond Acceptors54
Rotatable Bonds31
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002725.33
LogP ≤ 516.12
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1054

Analyze 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

3-[3-[2-[3-[3-[2-[2-amino-5-[4-(2-amino-1,3-benzothiazol-4-yl)-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl]-1,3-thiazol-4-yl]tetrazol-5-yl]-4-(2-amino-1,3-benzothiazol-4-yl)-2-sulfamoylphenyl]-2,2-dimethylpropyl]tetrazol-5-yl]-4-(2-amino-1,3-benzothiazol-4-yl)-2-sulfamoylphenyl]propanoic acid
CID 130238564
2-[2-(azetidin-2-yl)ethyl]-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine;N',N'-dimethyl-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine;N,N'-dimethyl-N'-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]ethane-1,2-diamine;4-N-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]cyclohexane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]ethane-1,2-diamine
CID 157119169
3-(2-amino-1,3-benzothiazol-4-yl)-6-(cyclobutylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(piperidin-4-ylmethyl)-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide;4-[4-[2-(4-aminocyclohexyl)ethyl]-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;6-heptyl-3-(6-hydroxyhexyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;6-hexyl-3-(5-hydroxypentyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine
CID 159762545
N-[1-(2-fluoroethyl)piperidin-4-yl]-4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;N'-methyl-N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]pentane-1,5-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]butane-1,4-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]pentane-1,5-diamine;N'-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]propane-1,3-diamine
CID 160716734
3-(2-amino-1,3-benzothiazol-4-yl)-6-hexyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(2-amino-1,3-benzothiazol-4-yl)-6-(2-methyl-1,3-thiazol-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(2,2-dimethylpropyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine
CID 161312546
3-(2-amino-1,3-benzothiazol-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(3-aminopropyl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;3-(5-amino-2-pyridinyl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide;N'-(azetidin-3-yl)-4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]benzenecarboximidamide;6-methyl-3-[4-(2-oxo-1,3-dihydroimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;4-[4-methyl-3-sulfamoyl-2-(3H-1,2,4-triazol-5-yl)phenyl]-N'-pyrrolidin-3-ylbenzenecarboximidamide
CID 162173810

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine (CID 159688906) is 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine is CC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(=O)CCc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CC(C)(C)Cc1ccc(-c2cccc3sc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O.CS(=O)(=O)c1c(-c2cnc(N)s2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CC2CCC2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.CS(=O)(=O)c1c(CCC2CCNCC2)ccc(-c2cccc3sc(N)nc23)c1-c1nn[nH]n1.
What is the InChIKey of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is MWDUUUDCCSXLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2S2.C20H20N6O2S2.C19H21N7O2S2.C18H14N8O2S3.2C18H17N7O3S2/c1-33(30,31)20-14(6-5-13-9-11-24-12-10-13)7-8-15(18(20)21-26-28-29-27-21)16-3-2-4-17-19(16)25-22(23)32-17;1-30(27,28)18-12(10-11-4-2-5-11)8-9-13(16(18)19-23-25-26-24-19)14-6-3-7-15-17(14)22-20(21)29-15;1-19(2,3)9-10-7-8-11(12-5-4-6-13-15(12)22-18(20)29-13)14(16(10)30(21,27)28)17-23-25-26-24-17;1-31(27,28)15-10(12-7-21-17(19)30-12)6-5-8(13(15)16-23-25-26-24-16)9-3-2-4-11-14(9)22-18(20)29-11;2*1-9(26)5-6-10-7-8-11(12-3-2-4-13-15(12)21-18(19)29-13)14(16(10)30(20,27)28)17-22-24-25-23-17/h2-4,7-8,13,24H,5-6,9-12H2,1H3,(H2,23,25)(H,26,27,28,29);3,6-9,11H,2,4-5,10H2,1H3,(H2,21,22)(H,23,24,25,26);4-8H,9H2,1-3H3,(H2,20,22)(H2,21,27,28)(H,23,24,25,26);2-7H,1H3,(H2,19,21)(H2,20,22)(H,23,24,25,26);2*2-4,7-8H,5-6H2,1H3,(H2,19,21)(H2,20,27,28)(H,22,23,24,25).
What are the key properties of 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine?
3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 2725.33 g/mol, XLogP of 16.12, 31 rotatable bonds, 17 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-benzothiazol-4-yl)-6-(2,2-dimethylpropyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide;bis(3-(2-amino-1,3-benzothiazol-4-yl)-6-(3-oxobutyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide);4-[4-(2-amino-1,3-thiazol-5-yl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[4-(cyclobutylmethyl)-3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine;4-[3-methylsulfonyl-4-(2-piperidin-4-ylethyl)-2-(2H-tetrazol-5-yl)phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 159688906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).