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

C12H11FN2O2S — CID 90260775

IUPAC4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccc(O)c(F)c2)cs1
InChIInChI=1S/C12H11FN2O2S/c1-15(2)12(17)11-14-9(6-18-11)7-3-4-10(16)8(13)5-7/h3-6,16H,1-2H3
InChIKeyNCPVODVRCCENDW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.36
Rot. Bonds2

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

4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide (PubChem CID 90260775) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide
PubChem CID90260775
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccc(O)c(F)c2)cs1
InChIInChI=1S/C12H11FN2O2S/c1-15(2)12(17)11-14-9(6-18-11)7-3-4-10(16)8(13)5-7/h3-6,16H,1-2H3
InChIKeyNCPVODVRCCENDW-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 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide (CID 90260775) is 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide is CN(C)C(=O)c1nc(-c2ccc(O)c(F)c2)cs1.
What is the InChIKey of 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
The InChIKey is NCPVODVRCCENDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-15(2)12(17)11-14-9(6-18-11)7-3-4-10(16)8(13)5-7/h3-6,16H,1-2H3.
What are the key properties of 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide?
4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-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 4-(3-fluoro-4-hydroxyphenyl)-N,N-dimethyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 90260775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).