2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C17H13Cl2N3OS — CID 53338422

IUPAC2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2N3OS/c1-10-15(16(23)21-13-6-2-11(18)3-7-13)24-17(20-10)22-14-8-4-12(19)5-9-14/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeySKKKHQSUNYVZFB-UHFFFAOYSA-N
MW378.28 g/mol
LogP5.75
Rot. Bonds4

About 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53338422) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53338422
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13Cl2N3OS/c1-10-15(16(23)21-13-6-2-11(18)3-7-13)24-17(20-10)22-14-8-4-12(19)5-9-14/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeySKKKHQSUNYVZFB-UHFFFAOYSA-N
XLogP5.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
N-(4-chlorophenyl)-4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxamide
CID 1468155
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-(4-fluoroanilino)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 30142215
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167
methyl 4-[[2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897633
2-(adamantane-1-carbonylamino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 5116709
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
N-(3-chloro-4-methoxyphenyl)-4-methyl-2-(4-methylanilino)-1,3-thiazole-5-carboxamide
CID 53152974
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
N-(3-bromophenyl)-2-[(4-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897620
N-(3,4-difluorophenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152907

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 53338422) is 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SKKKHQSUNYVZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-10-15(16(23)21-13-6-2-11(18)3-7-13)24-17(20-10)22-14-8-4-12(19)5-9-14/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 378.28 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53338422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).