4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide

C11H9FN2OS — CID 68590512

IUPAC4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(N)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2OS/c1-6-9(14-11(16-6)10(13)15)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15)
InChIKeyJOCKAGMHWOREBG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.36
Rot. Bonds2

About 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide

4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 68590512) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide
PubChem CID68590512
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide
SMILESCc1sc(C(N)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2OS/c1-6-9(14-11(16-6)10(13)15)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15)
InChIKeyJOCKAGMHWOREBG-UHFFFAOYSA-N
XLogP2.36
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
CID 10433314
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
1-(5-Methyl-2-phenyl-1,3-thiazol-4-yl)ethanone
CID 4616789
4-(4-Fluorophenyl)-2-thiazoleacetamide
CID 737186
2-(2,4-Difluorophenyl)thiazole-4-carboxamide
CID 2737060
N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486910
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
N'-(2-Ethylphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-YL]ethyl}ethanediamide
CID 7216552
N-(2,4-diphenyl-1,3-thiazol-5-yl)acetamide
CID 833380
(E)-2-methyl-3-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 117823579
(E)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylprop-2-enamide
CID 127030673
(2E)-2-[(4-phenyl-5-propyl-1,3-thiazol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 136219122

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide (CID 68590512) is 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide is Cc1sc(C(N)=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is JOCKAGMHWOREBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-6-9(14-11(16-6)10(13)15)7-2-4-8(12)5-3-7/h2-5H,1H3,(H2,13,15).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide?
4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68590512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).