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

C11H9FN2OS — CID 11492398

IUPACN-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C11H9FN2OS/c1-7-13-10(6-16-7)11(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15)
InChIKeyICXBQOFQUVGVER-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.84
Rot. Bonds2

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

N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 11492398) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID11492398
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC NameN-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(F)c2)cs1
InChIInChI=1S/C11H9FN2OS/c1-7-13-10(6-16-7)11(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15)
InChIKeyICXBQOFQUVGVER-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 11492398) is N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cccc(F)c2)cs1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ICXBQOFQUVGVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-7-13-10(6-16-7)11(15)14-9-4-2-3-8(12)5-9/h2-6H,1H3,(H,14,15).
What are the key properties of N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11492398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).