2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

C12H10F2N2OS — CID 49356336

IUPAC2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2OS/c13-8-1-2-9(10(14)7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyASTNMCIWASJLQA-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.39
Rot. Bonds4

About 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide

2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 49356336) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID49356336
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESO=C(NCCc1nccs1)c1ccc(F)cc1F
InChIInChI=1S/C12H10F2N2OS/c13-8-1-2-9(10(14)7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4H2,(H,16,17)
InChIKeyASTNMCIWASJLQA-UHFFFAOYSA-N
XLogP2.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238947
2-fluoro-5-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029530
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
3-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 110474816
2,5-difluoro-4-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 104699379
2,4-difluoro-N-(2-pyridin-2-ylethyl)benzamide
CID 51164132
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
N-[2-[(2,4-difluorobenzoyl)amino]ethyl]thiophene-2-carboxamide
CID 108573971
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849
2-amino-4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82546791
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 49356336) is 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is O=C(NCCc1nccs1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is ASTNMCIWASJLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c13-8-1-2-9(10(14)7-8)12(17)16-4-3-11-15-5-6-18-11/h1-2,5-7H,3-4H2,(H,16,17).
What are the key properties of 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 268.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 49356336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).