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

C12H11FN2OS — CID 110851260

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2OS/c1-8-14-7-11(17-8)12(16)15-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyPBVIVSVJHKCHHF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.52
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110851260) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID110851260
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(F)cc2)s1
InChIInChI=1S/C12H11FN2OS/c1-8-14-7-11(17-8)12(16)15-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeyPBVIVSVJHKCHHF-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 110851260) is N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCc2ccc(F)cc2)s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PBVIVSVJHKCHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-14-7-11(17-8)12(16)15-6-9-2-4-10(13)5-3-9/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110851260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).