2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide

C19H18ClN3OS — CID 30942110

IUPAC2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H18ClN3OS/c1-12-6-13(2)8-16(7-12)21-18(24)10-17-11-25-19(23-17)22-15-5-3-4-14(20)9-15/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMQSILXWOLQPJKS-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.34
Rot. Bonds5

About 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide

2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 30942110) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
PubChem CID30942110
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H18ClN3OS/c1-12-6-13(2)8-16(7-12)21-18(24)10-17-11-25-19(23-17)22-15-5-3-4-14(20)9-15/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMQSILXWOLQPJKS-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-cyclohexylacetamide
CID 27377986
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 27377989
ethyl 4-[2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 27377984
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 26841697
2-(2-amino-1,3-thiazol-4-yl)-N-(3-chlorophenyl)acetamide
CID 55120912
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 18567623
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-piperidin-1-ylethanone
CID 30941985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide (CID 30942110) is 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cc2csc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is MQSILXWOLQPJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12-6-13(2)8-16(7-12)21-18(24)10-17-11-25-19(23-17)22-15-5-3-4-14(20)9-15/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide?
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 371.89 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 30942110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).