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

C15H11FN2OS2 — CID 7667820

IUPACN-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN2OS2/c1-9-13(21-15(17-9)12-3-2-8-20-12)14(19)18-11-6-4-10(16)5-7-11/h2-8H,1H3,(H,18,19)
InChIKeyLBVGOZDJTLSJCJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.57
Rot. Bonds3

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

N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 7667820) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID7667820
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC NameN-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H11FN2OS2/c1-9-13(21-15(17-9)12-3-2-8-20-12)14(19)18-11-6-4-10(16)5-7-11/h2-8H,1H3,(H,18,19)
InChIKeyLBVGOZDJTLSJCJ-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 7667820) is N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is LBVGOZDJTLSJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c1-9-13(21-15(17-9)12-3-2-8-20-12)14(19)18-11-6-4-10(16)5-7-11/h2-8H,1H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 7667820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).