N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide

C24H24N8O2S — CID 123567234

IUPACN-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide
SMILESCc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CC(N)CC4)c2)cc1
InChIInChI=1S/C24H24N8O2S/c1-14-29-30-31-32(14)19-8-5-16(6-9-19)22(33)26-13-15-3-2-4-17(11-15)23(34)28-24-27-20-10-7-18(25)12-21(20)35-24/h2-6,8-9,11,18H,7,10,12-13,25H2,1H3,(H,26,33)(H,27,28,34)
InChIKeyPWSDYEQLYJBVDN-UHFFFAOYSA-N
MW488.58 g/mol
LogP2.43
Rot. Bonds6

About N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide

N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide (PubChem CID 123567234) has the molecular formula C24H24N8O2S and a molecular weight of 488.58 g/mol. Its IUPAC name is N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide
PubChem CID123567234
Molecular FormulaC24H24N8O2S
Molecular Weight488.58 g/mol
Exact Mass488.17
IUPAC NameN-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide
SMILESCc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CC(N)CC4)c2)cc1
InChIInChI=1S/C24H24N8O2S/c1-14-29-30-31-32(14)19-8-5-16(6-9-19)22(33)26-13-15-3-2-4-17(11-15)23(34)28-24-27-20-10-7-18(25)12-21(20)35-24/h2-6,8-9,11,18H,7,10,12-13,25H2,1H3,(H,26,33)(H,27,28,34)
InChIKeyPWSDYEQLYJBVDN-UHFFFAOYSA-N
XLogP2.43
TPSA140.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.58
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-ethylbenzamide
CID 123155195
N-[[3-[(6-amino-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)carbamoyl]phenyl]methyl]-3-chloro-4-methoxybenzamide
CID 143722658
N-[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 84973056
3-[[[4-(thiadiazol-4-yl)benzoyl]amino]methyl]-N-[(6S)-6-[(2,2,2-trifluoroacetyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 88558464
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[[6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-5-phenyltriazole-4-carboxamide
CID 123181800
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
4-(5-methylpyrazol-1-yl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 32573806
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]triazole-4-carboxamide
CID 84973047
6-cyano-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide;3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide;N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]-2-oxo-1H-quinoline-6-carboxamide;N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-[[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]benzamide;3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]-N-[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 158900309
N-[(6S)-6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 87189954
3-[[[4-(4,5-dihydrooxepin-2-yl)benzoyl]amino]methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 123342305
4-methyl-N-[[3-[[(6S)-6-morpholin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 84973077

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide (CID 123567234) is N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide is Cc1nnnn1-c1ccc(C(=O)NCc2cccc(C(=O)Nc3nc4c(s3)CC(N)CC4)c2)cc1.
What is the InChIKey of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide?
The InChIKey is PWSDYEQLYJBVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O2S/c1-14-29-30-31-32(14)19-8-5-16(6-9-19)22(33)26-13-15-3-2-4-17(11-15)23(34)28-24-27-20-10-7-18(25)12-21(20)35-24/h2-6,8-9,11,18H,7,10,12-13,25H2,1H3,(H,26,33)(H,27,28,34).
What are the key properties of N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide?
N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide has a molecular weight of 488.58 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-[[[4-(5-methyltetrazol-1-yl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 123567234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).