2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate

C93H95N19O23S12 — CID 158777536

IUPAC2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)Nc1nc(S(C)=O)cs1.CC(=O)Oc1ccc(C)cc1C(=O)Nc1nc(S(C)=O)cs1.Cc1ccc(O)c(C(=O)Nc2nc(S(C)=O)cs2)c1.Cc1ccc(OC(=O)N(C)CCCN(C)CCN2CCOCC2)c(C(=O)Nc2nc(S(C)=O)cs2)c1.O=C(Nc1nc(S(=O)c2ncccn2)cs1)c1ccccc1O.O=COc1ccccc1C(=O)Nc1nc(S(=O)c2ncccn2)cs1
InChIInChI=1S/C24H35N5O5S2.C15H10N4O4S2.C14H10N4O3S2.2C14H14N2O4S2.C12H12N2O3S2/c1-18-6-7-20(19(16-18)22(30)26-23-25-21(17-35-23)36(4)32)34-24(31)28(3)9-5-8-27(2)10-11-29-12-14-33-15-13-29;20-9-23-11-5-2-1-4-10(11)13(21)19-14-18-12(8-24-14)25(22)15-16-6-3-7-17-15;19-10-5-2-1-4-9(10)12(20)18-13-17-11(8-22-13)23(21)14-15-6-3-7-16-14;2*1-8-4-5-11(20-9(2)17)10(6-8)13(18)16-14-15-12(7-21-14)22(3)19;1-7-3-4-9(15)8(5-7)11(16)14-12-13-10(6-18-12)19(2)17/h6-7,16-17H,5,8-15H2,1-4H3,(H,25,26,30);1-9H,(H,18,19,21);1-8,19H,(H,17,18,20);2*4-7H,1-3H3,(H,15,16,18);3-6,15H,1-2H3,(H,13,14,16)
InChIKeyIQQSCVJJAPSVKS-UHFFFAOYSA-N
MW2231.70 g/mol
LogP13.35
Rot. Bonds32

About 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate

2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate (PubChem CID 158777536) has the molecular formula C93H95N19O23S12 and a molecular weight of 2231.70 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate
PubChem CID158777536
Molecular FormulaC93H95N19O23S12
Molecular Weight2231.70 g/mol
Exact Mass2229.35
IUPAC Name2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate
SMILESCC(=O)Oc1ccc(C)cc1C(=O)Nc1nc(S(C)=O)cs1.CC(=O)Oc1ccc(C)cc1C(=O)Nc1nc(S(C)=O)cs1.Cc1ccc(O)c(C(=O)Nc2nc(S(C)=O)cs2)c1.Cc1ccc(OC(=O)N(C)CCCN(C)CCN2CCOCC2)c(C(=O)Nc2nc(S(C)=O)cs2)c1.O=C(Nc1nc(S(=O)c2ncccn2)cs1)c1ccccc1O.O=COc1ccccc1C(=O)Nc1nc(S(=O)c2ncccn2)cs1
InChIInChI=1S/C24H35N5O5S2.C15H10N4O4S2.C14H10N4O3S2.2C14H14N2O4S2.C12H12N2O3S2/c1-18-6-7-20(19(16-18)22(30)26-23-25-21(17-35-23)36(4)32)34-24(31)28(3)9-5-8-27(2)10-11-29-12-14-33-15-13-29;20-9-23-11-5-2-1-4-10(11)13(21)19-14-18-12(8-24-14)25(22)15-16-6-3-7-17-15;19-10-5-2-1-4-9(10)12(20)18-13-17-11(8-22-13)23(21)14-15-6-3-7-16-14;2*1-8-4-5-11(20-9(2)17)10(6-8)13(18)16-14-15-12(7-21-14)22(3)19;1-7-3-4-9(15)8(5-7)11(16)14-12-13-10(6-18-12)19(2)17/h6-7,16-17H,5,8-15H2,1-4H3,(H,25,26,30);1-9H,(H,18,19,21);1-8,19H,(H,17,18,20);2*4-7H,1-3H3,(H,15,16,18);3-6,15H,1-2H3,(H,13,14,16)
InChIKeyIQQSCVJJAPSVKS-UHFFFAOYSA-N
XLogP13.35
TPSA570.53 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002231.70
LogP ≤ 513.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate with MolForge

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Related Compounds

[2-[[4-(tert-butylsulfinylmethyl)-1,3-thiazol-2-yl]carbamoyl]-3,4,5,6-tetradeuteriophenyl] 4-oxo-6-pyridin-4-ylhexanoate;[2,4-difluoro-6-[[4-(methylsulfinylmethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] N-ethyl-N-[2-[ethyl(pyridin-4-ylmethyl)amino]ethyl]carbamate;[2-[(4-ethylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;N-(4-ethylsulfinyl-1,3-thiazol-2-yl)-2-hydroxybenzamide;2-hydroxy-3-methyl-N-(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;[2-[(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] propanoate
CID 160760461

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate?
The IUPAC name of 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate (CID 158777536) is 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate?
The canonical SMILES for 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate is CC(=O)Oc1ccc(C)cc1C(=O)Nc1nc(S(C)=O)cs1.CC(=O)Oc1ccc(C)cc1C(=O)Nc1nc(S(C)=O)cs1.Cc1ccc(O)c(C(=O)Nc2nc(S(C)=O)cs2)c1.Cc1ccc(OC(=O)N(C)CCCN(C)CCN2CCOCC2)c(C(=O)Nc2nc(S(C)=O)cs2)c1.O=C(Nc1nc(S(=O)c2ncccn2)cs1)c1ccccc1O.O=COc1ccccc1C(=O)Nc1nc(S(=O)c2ncccn2)cs1.
What is the InChIKey of 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate?
The InChIKey is IQQSCVJJAPSVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O5S2.C15H10N4O4S2.C14H10N4O3S2.2C14H14N2O4S2.C12H12N2O3S2/c1-18-6-7-20(19(16-18)22(30)26-23-25-21(17-35-23)36(4)32)34-24(31)28(3)9-5-8-27(2)10-11-29-12-14-33-15-13-29;20-9-23-11-5-2-1-4-10(11)13(21)19-14-18-12(8-24-14)25(22)15-16-6-3-7-17-15;19-10-5-2-1-4-9(10)12(20)18-13-17-11(8-22-13)23(21)14-15-6-3-7-16-14;2*1-8-4-5-11(20-9(2)17)10(6-8)13(18)16-14-15-12(7-21-14)22(3)19;1-7-3-4-9(15)8(5-7)11(16)14-12-13-10(6-18-12)19(2)17/h6-7,16-17H,5,8-15H2,1-4H3,(H,25,26,30);1-9H,(H,18,19,21);1-8,19H,(H,17,18,20);2*4-7H,1-3H3,(H,15,16,18);3-6,15H,1-2H3,(H,13,14,16).
What are the key properties of 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate?
2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate has a molecular weight of 2231.70 g/mol, XLogP of 13.35, 32 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-(4-methylsulfinyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)benzamide;bis([4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate);[4-methyl-2-[(4-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] N-methyl-N-[3-[methyl(2-morpholin-4-ylethyl)amino]propyl]carbamate;[2-[(4-pyrimidin-2-ylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] formate is sourced from PubChem (CID 158777536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).