N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide

C19H18ClN3OS — CID 50830719

IUPACN-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)cs2)c(C)c1
InChIInChI=1S/C19H18ClN3OS/c1-12-6-7-16(13(2)8-12)22-19-23-17(11-25-19)18(24)21-10-14-4-3-5-15(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWEUBCLPNASIKIJ-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.09
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide

N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 50830719) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
PubChem CID50830719
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)cs2)c(C)c1
InChIInChI=1S/C19H18ClN3OS/c1-12-6-7-16(13(2)8-12)22-19-23-17(11-25-19)18(24)21-10-14-4-3-5-15(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWEUBCLPNASIKIJ-UHFFFAOYSA-N
XLogP5.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3-ethylanilino)-1,3-thiazole-4-carboxamide
CID 50830718
N-[(4-butoxyphenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 46388426
6-N-(4-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097465
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(4-chloroanilino)-N-[5-[(3-chlorophenyl)methylamino]pentyl]-1,3-thiazole-4-carboxamide
CID 86574827
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
methyl 2-(4-chloro-2-methylanilino)-1,3-thiazole-4-carboxylate
CID 114256663
2-(1-aminobutyl)-N-[(3-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3858555
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55716938
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90506242

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide (CID 50830719) is N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)NCc3cccc(Cl)c3)cs2)c(C)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is WEUBCLPNASIKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12-6-7-16(13(2)8-12)22-19-23-17(11-25-19)18(24)21-10-14-4-3-5-15(20)9-14/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide?
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50830719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).