2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide

C12H11FN2O2S — CID 136641547

IUPAC2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C12H11FN2O2S/c1-15(2)12(17)9-6-18-11(14-9)7-3-4-10(16)8(13)5-7/h3-6,16H,1-2H3
InChIKeyGXTHEPYJYGMDFX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.36
Rot. Bonds2

About 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide

2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 136641547) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID136641547
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(-c2ccc(O)c(F)c2)n1
InChIInChI=1S/C12H11FN2O2S/c1-15(2)12(17)9-6-18-11(14-9)7-3-4-10(16)8(13)5-7/h3-6,16H,1-2H3
InChIKeyGXTHEPYJYGMDFX-UHFFFAOYSA-N
XLogP2.36
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 136641547) is 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(-c2ccc(O)c(F)c2)n1.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is GXTHEPYJYGMDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(2)12(17)9-6-18-11(14-9)7-3-4-10(16)8(13)5-7/h3-6,16H,1-2H3.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136641547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).