2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide

C14H14F2N2O2S — CID 110021985

IUPAC2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(O)CN(C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H14F2N2O2S/c1-8(19)6-18(2)14(20)12-7-21-13(17-12)9-3-4-10(15)11(16)5-9/h3-5,7-8,19H,6H2,1-2H3
InChIKeyZWYLGZZWHZCPKT-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.54
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide

2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 110021985) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID110021985
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCC(O)CN(C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H14F2N2O2S/c1-8(19)6-18(2)14(20)12-7-21-13(17-12)9-3-4-10(15)11(16)5-9/h3-5,7-8,19H,6H2,1-2H3
InChIKeyZWYLGZZWHZCPKT-UHFFFAOYSA-N
XLogP2.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 110021988
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695137
2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111695081
2-[4-[(3,4-difluorophenyl)methoxy]-3-methoxyphenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46066284
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
2-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 9091258
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38226165
N-ethyl-N-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066531
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110886106
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 51217667
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 110021985) is 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide is CC(O)CN(C)C(=O)c1csc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZWYLGZZWHZCPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-8(19)6-18(2)14(20)12-7-21-13(17-12)9-3-4-10(15)11(16)5-9/h3-5,7-8,19H,6H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 312.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110021985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).