2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

C12H11FN2OS — CID 67310051

IUPAC2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1nc(C(N)=O)c(-c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-2-9-15-10(12(14)16)11(17-9)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyVZSANHSLPCFIQT-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.61
Rot. Bonds3

About 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67310051) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID67310051
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1nc(C(N)=O)c(-c2ccccc2F)s1
InChIInChI=1S/C12H11FN2OS/c1-2-9-15-10(12(14)16)11(17-9)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H2,14,16)
InChIKeyVZSANHSLPCFIQT-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ro 41-1049
CID 5086
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
RO-41-1049 hydrochloride
CID 5311308
2-Methyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 54670452
4-[2-[[3-Fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzamide
CID 54670455
2-Ethyl-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 137660928
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 7222728
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 7222732
4-[2-[(3-Fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzamide
CID 137639427
4-[4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(trifluoromethyl)benzamide
CID 137640725
4-[4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 137644761
2-Fluoro-4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 137648436

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 67310051) is 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is CCc1nc(C(N)=O)c(-c2ccccc2F)s1.
What is the InChIKey of 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VZSANHSLPCFIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-2-9-15-10(12(14)16)11(17-9)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H2,14,16).
What are the key properties of 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67310051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).