2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide

C23H23N5O6S2 — CID 16955167

IUPAC2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)cs2)c(OC)c1
InChIInChI=1S/C23H23N5O6S2/c1-13-14(2)27-34-22(13)28-36(30,31)17-8-5-15(6-9-17)24-21(29)19-12-35-23(26-19)25-18-10-7-16(32-3)11-20(18)33-4/h5-12,28H,1-4H3,(H,24,29)(H,25,26)
InChIKeySAWNGNXKLBQIAN-UHFFFAOYSA-N
MW529.60 g/mol
LogP4.56
Rot. Bonds9

About 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide

2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 16955167) has the molecular formula C23H23N5O6S2 and a molecular weight of 529.60 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID16955167
Molecular FormulaC23H23N5O6S2
Molecular Weight529.60 g/mol
Exact Mass529.11
IUPAC Name2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)cs2)c(OC)c1
InChIInChI=1S/C23H23N5O6S2/c1-13-14(2)27-34-22(13)28-36(30,31)17-8-5-15(6-9-17)24-21(29)19-12-35-23(26-19)25-18-10-7-16(32-3)11-20(18)33-4/h5-12,28H,1-4H3,(H,24,29)(H,25,26)
InChIKeySAWNGNXKLBQIAN-UHFFFAOYSA-N
XLogP4.56
TPSA144.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954988
2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,4-dimethoxybenzenesulfonamide
CID 19683706
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1106454
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
(2S)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)propanamide
CID 1122692
N-cyclododecyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16845047
N-cyclohexyl-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955034
N-(2-methoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109102

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide (CID 16955167) is 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)cs2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SAWNGNXKLBQIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O6S2/c1-13-14(2)27-34-22(13)28-36(30,31)17-8-5-15(6-9-17)24-21(29)19-12-35-23(26-19)25-18-10-7-16(32-3)11-20(18)33-4/h5-12,28H,1-4H3,(H,24,29)(H,25,26).
What are the key properties of 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide?
2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).