2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide

C11H8F2N2OS — CID 89479176

IUPAC2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)c(-c2nc(C(N)=O)cs2)c1F
InChIInChI=1S/C11H8F2N2OS/c1-5-2-3-6(12)8(9(5)13)11-15-7(4-17-11)10(14)16/h2-4H,1H3,(H2,14,16)
InChIKeyJGXQUCCWEKIFJX-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.50
Rot. Bonds2

About 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide

2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 89479176) has the molecular formula C11H8F2N2OS and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID89479176
Molecular FormulaC11H8F2N2OS
Molecular Weight254.26 g/mol
Exact Mass254.03
IUPAC Name2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(F)c(-c2nc(C(N)=O)cs2)c1F
InChIInChI=1S/C11H8F2N2OS/c1-5-2-3-6(12)8(9(5)13)11-15-7(4-17-11)10(14)16/h2-4H,1H3,(H2,14,16)
InChIKeyJGXQUCCWEKIFJX-UHFFFAOYSA-N
XLogP2.50
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenyl-1,3-thiazole-4-carbohydrazide
CID 2740635
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one
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2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
2-[3-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carbohydrazide
CID 1478836
2-(4-Phenyl-1,3-thiazol-2-yl)acetamide
CID 712446
4-(4-Fluorophenyl)-2-thiazoleacetamide
CID 737186
2-(2,4-Difluorophenyl)thiazole-4-carboxamide
CID 2737060
2-Phenyl-1,3-thiazole-4-carbaldehyde
CID 736524
N-(2,4-difluorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 1486906
N-allyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 2768692
(5Z)-2-sulfanylidene-5-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methylidene]-1,3-thiazolidin-4-one
CID 137641798
2-benzyl-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 3783920

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 89479176) is 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccc(F)c(-c2nc(C(N)=O)cs2)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JGXQUCCWEKIFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2OS/c1-5-2-3-6(12)8(9(5)13)11-15-7(4-17-11)10(14)16/h2-4H,1H3,(H2,14,16).
What are the key properties of 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 254.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89479176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).