3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

C17H9F2N3OS — CID 4801011

IUPAC3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1
InChIInChI=1S/C17H9F2N3OS/c18-12-4-5-14(19)13(7-12)15-9-24-17(21-15)22-16(23)11-3-1-2-10(6-11)8-20/h1-7,9H,(H,21,22,23)
InChIKeyRROBJMVMSBXUBV-UHFFFAOYSA-N
MW341.34 g/mol
LogP4.21
Rot. Bonds3

About 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide

3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4801011) has the molecular formula C17H9F2N3OS and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4801011
Molecular FormulaC17H9F2N3OS
Molecular Weight341.34 g/mol
Exact Mass341.04
IUPAC Name3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1
InChIInChI=1S/C17H9F2N3OS/c18-12-4-5-14(19)13(7-12)15-9-24-17(21-15)22-16(23)11-3-1-2-10(6-11)8-20/h1-7,9H,(H,21,22,23)
InChIKeyRROBJMVMSBXUBV-UHFFFAOYSA-N
XLogP4.21
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7948158
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
3-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 7770854
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238
3-(cyclopentylsulfamoyl)-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 39299563
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 167980261
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 26207781

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 4801011) is 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1.
What is the InChIKey of 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RROBJMVMSBXUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3OS/c18-12-4-5-14(19)13(7-12)15-9-24-17(21-15)22-16(23)11-3-1-2-10(6-11)8-20/h1-7,9H,(H,21,22,23).
What are the key properties of 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 341.34 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4801011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).