N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

C19H18N4O4S — CID 16955163

IUPACN-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccccc3C(N)=O)cs2)c(OC)c1
InChIInChI=1S/C19H18N4O4S/c1-26-11-7-8-14(16(9-11)27-2)22-19-23-15(10-28-19)18(25)21-13-6-4-3-5-12(13)17(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyISWRLFSBYGVICT-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.26
Rot. Bonds7

About N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16955163) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16955163
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Nc2nc(C(=O)Nc3ccccc3C(N)=O)cs2)c(OC)c1
InChIInChI=1S/C19H18N4O4S/c1-26-11-7-8-14(16(9-11)27-2)22-19-23-15(10-28-19)18(25)21-13-6-4-3-5-12(13)17(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyISWRLFSBYGVICT-UHFFFAOYSA-N
XLogP3.26
TPSA115.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
dimethyl 2-[[2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 16955122
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
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
2-(2,4-dimethoxyanilino)-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 16955129
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
N-(2-carbamoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948581
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
2-(2-anilino-1,3-thiazol-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 30940318

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16955163) is N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is COc1ccc(Nc2nc(C(=O)Nc3ccccc3C(N)=O)cs2)c(OC)c1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is ISWRLFSBYGVICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-26-11-7-8-14(16(9-11)27-2)22-19-23-15(10-28-19)18(25)21-13-6-4-3-5-12(13)17(20)24/h3-10H,1-2H3,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-(2,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).