4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile

C10H3ClF2N2OS — CID 117062242

IUPAC4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(=O)n(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C10H3ClF2N2OS/c11-9-8(4-14)17-10(16)15(9)7-2-1-5(12)3-6(7)13/h1-3H
InChIKeyOQUZCLHOERAIDB-UHFFFAOYSA-N
MW272.66 g/mol
LogP2.70
Rot. Bonds1

About 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile

4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile (PubChem CID 117062242) has the molecular formula C10H3ClF2N2OS and a molecular weight of 272.66 g/mol. Its IUPAC name is 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile
PubChem CID117062242
Molecular FormulaC10H3ClF2N2OS
Molecular Weight272.66 g/mol
Exact Mass271.96
IUPAC Name4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(=O)n(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C10H3ClF2N2OS/c11-9-8(4-14)17-10(16)15(9)7-2-1-5(12)3-6(7)13/h1-3H
InChIKeyOQUZCLHOERAIDB-UHFFFAOYSA-N
XLogP2.70
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.66
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-6-methyl-2-oxopyridine-3-carbonitrile
CID 58158462
2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653475
5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
CID 63787735
2-chloro-8-(2,4-difluorophenyl)pyrido[2,3-d]pyrimidin-7-one
CID 90825406
4-(2,4-difluorophenyl)thiomorpholine-3,5-dione
CID 2732309
5-chloro-1-(2,4-difluorophenyl)-3-(methoxymethyl)pyrazole-4-carbonitrile
CID 55237711
2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653473
6-chloro-3-(2,4-difluorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 4829978
9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976
4-bromo-1-(2,4-difluorophenyl)pyrazole-3-carbonitrile
CID 116818890
3-(5-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)-3-oxopropanenitrile
CID 64558760
1-(2,4-difluorophenyl)-3-(fluoromethyl)pyrrole-2,5-diol
CID 54067064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile (CID 117062242) is 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile is N#Cc1sc(=O)n(-c2ccc(F)cc2F)c1Cl.
What is the InChIKey of 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile?
The InChIKey is OQUZCLHOERAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF2N2OS/c11-9-8(4-14)17-10(16)15(9)7-2-1-5(12)3-6(7)13/h1-3H.
What are the key properties of 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile?
4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile has a molecular weight of 272.66 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,4-difluorophenyl)-2-oxo-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 117062242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).