N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

C18H15ClFN3OS — CID 30941377

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H15ClFN3OS/c1-11-2-3-12(19)8-16(11)23-17(24)9-15-10-25-18(22-15)21-14-6-4-13(20)5-7-14/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyYFCOINJRUNWQTJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.17
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30941377) has the molecular formula C18H15ClFN3OS and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID30941377
Molecular FormulaC18H15ClFN3OS
Molecular Weight375.86 g/mol
Exact Mass375.06
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C18H15ClFN3OS/c1-11-2-3-12(19)8-16(11)23-17(24)9-15-10-25-18(22-15)21-14-6-4-13(20)5-7-14/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24)
InChIKeyYFCOINJRUNWQTJ-UHFFFAOYSA-N
XLogP5.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27377889
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-N-naphthalen-1-ylacetamide
CID 30941352
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30860051
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
CID 1133217
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4852253
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-(3,5-dimethylphenyl)acetamide
CID 30942110

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide (CID 30941377) is N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is Cc1ccc(Cl)cc1NC(=O)Cc1csc(Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YFCOINJRUNWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3OS/c1-11-2-3-12(19)8-16(11)23-17(24)9-15-10-25-18(22-15)21-14-6-4-13(20)5-7-14/h2-8,10H,9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 375.86 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30941377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).