2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

C15H15FN2O2S — CID 51079333

IUPAC2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCOC1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O2S/c16-12-3-1-11(2-4-12)15-18-13(9-21-15)14(19)17-7-10-5-6-20-8-10/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyYGJSJEBCSSOJSK-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 51079333) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID51079333
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCOC1)c1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H15FN2O2S/c16-12-3-1-11(2-4-12)15-18-13(9-21-15)14(19)17-7-10-5-6-20-8-10/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyYGJSJEBCSSOJSK-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 155754719
N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 155754721
US9963446, Example 129
CID 146047742
2-(2,4-Difluorophenyl)thiazole-4-carboxamide
CID 2737060
N-allyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 2768692
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-2,2-dimethylpropanamide
CID 7518520
N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)pivalamide
CID 7522128
N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486910
N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 3792843
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]oxane-4-carboxamide
CID 123238382
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 123463801
N-(1-cyanopyrrolidin-3-yl)-4-phenylthiazole-2-carboxamide
CID 122590438

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 51079333) is 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCC1CCOC1)c1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YGJSJEBCSSOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-3-1-11(2-4-12)15-18-13(9-21-15)14(19)17-7-10-5-6-20-8-10/h1-4,9-10H,5-8H2,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51079333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).