N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C15H10ClFN2OS2 — CID 134052558

IUPACN-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H10ClFN2OS2/c1-8-13(22-15(18-8)12-3-2-6-21-12)14(20)19-11-7-9(16)4-5-10(11)17/h2-7H,1H3,(H,19,20)
InChIKeyFOXCZOOAAIDIIA-UHFFFAOYSA-N
MW352.84 g/mol
LogP5.22
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 134052558) has the molecular formula C15H10ClFN2OS2 and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID134052558
Molecular FormulaC15H10ClFN2OS2
Molecular Weight352.84 g/mol
Exact Mass351.99
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C15H10ClFN2OS2/c1-8-13(22-15(18-8)12-3-2-6-21-12)14(20)19-11-7-9(16)4-5-10(11)17/h2-7H,1H3,(H,19,20)
InChIKeyFOXCZOOAAIDIIA-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.84
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 55387733
N-(5-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 18206899
N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42058339
N-(3-chloro-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86835066
N'-(3-chloro-4-fluorophenyl)sulfonyl-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 2744075
4-methyl-2-thiophen-2-yl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 9192165
4-methyl-N-(6-methyl-2-pyridinyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 35505361
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134048088
4-methyl-2-thiophen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 7668129
N-(5-tert-butyl-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 7668881
N-(2,6-diethylphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 27667865
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42947638

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 134052558) is N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FOXCZOOAAIDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2OS2/c1-8-13(22-15(18-8)12-3-2-6-21-12)14(20)19-11-7-9(16)4-5-10(11)17/h2-7H,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134052558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).