3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide

C13H13FN2OS — CID 53169218

IUPAC3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C13H13FN2OS/c1-8(2)15-13(17)12-7-11(16-18-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17)
InChIKeyQCYXWJHTEKDTHF-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.09
Rot. Bonds3

About 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide

3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide (PubChem CID 53169218) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide
PubChem CID53169218
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(F)cc2)ns1
InChIInChI=1S/C13H13FN2OS/c1-8(2)15-13(17)12-7-11(16-18-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17)
InChIKeyQCYXWJHTEKDTHF-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide (CID 53169218) is 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide is CC(C)NC(=O)c1cc(-c2ccc(F)cc2)ns1.
What is the InChIKey of 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide?
The InChIKey is QCYXWJHTEKDTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8(2)15-13(17)12-7-11(16-18-12)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H,15,17).
What are the key properties of 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide?
3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-propan-2-yl-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 53169218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).