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

C12H11FN2OS — CID 47183801

IUPAC2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(N)=O
InChIInChI=1S/C12H11FN2OS/c1-7-11(12(14)16)17-10(15-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyAIYANAKCHHWRJK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.28
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47183801) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47183801
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(N)=O
InChIInChI=1S/C12H11FN2OS/c1-7-11(12(14)16)17-10(15-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyAIYANAKCHHWRJK-UHFFFAOYSA-N
XLogP2.28
TPSA55.98 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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47183801) is 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccc(F)cc2)sc1C(N)=O.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AIYANAKCHHWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-7-11(12(14)16)17-10(15-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H2,14,16).
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47183801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).