2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide

C17H11ClF2N2OS — CID 39189888

IUPAC2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(F)c(F)cc2Cl)sc1-c1ccccc1
InChIInChI=1S/C17H11ClF2N2OS/c1-9-15(10-5-3-2-4-6-10)24-17(21-9)22-16(23)11-7-13(19)14(20)8-12(11)18/h2-8H,1H3,(H,21,22,23)
InChIKeyINEIWXAZXSQTOZ-UHFFFAOYSA-N
MW364.80 g/mol
LogP5.30
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide

2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 39189888) has the molecular formula C17H11ClF2N2OS and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID39189888
Molecular FormulaC17H11ClF2N2OS
Molecular Weight364.80 g/mol
Exact Mass364.02
IUPAC Name2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
SMILESCc1nc(NC(=O)c2cc(F)c(F)cc2Cl)sc1-c1ccccc1
InChIInChI=1S/C17H11ClF2N2OS/c1-9-15(10-5-3-2-4-6-10)24-17(21-9)22-16(23)11-7-13(19)14(20)8-12(11)18/h2-8H,1H3,(H,21,22,23)
InChIKeyINEIWXAZXSQTOZ-UHFFFAOYSA-N
XLogP5.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.80
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2,3-dimethyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)quinoxaline-5-carboxamide
CID 55851954
2,5-dichloro-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 4307755
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37200709
1-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)indole-3-carboxamide
CID 55993689
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
2-(methylamino)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 37201234
methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
CID 39189291
2-(3-fluorophenyl)-N-[2-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 55851828
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
(E)-4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 134348775
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide (CID 39189888) is 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide is Cc1nc(NC(=O)c2cc(F)c(F)cc2Cl)sc1-c1ccccc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is INEIWXAZXSQTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF2N2OS/c1-9-15(10-5-3-2-4-6-10)24-17(21-9)22-16(23)11-7-13(19)14(20)8-12(11)18/h2-8H,1H3,(H,21,22,23).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide?
2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 364.80 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 39189888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).