3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C12H8FN3OS — CID 46911384

IUPAC3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)
InChIKeyKTQZJPKEGPXLRL-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.71
Rot. Bonds2

About 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide

3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 46911384) has the molecular formula C12H8FN3OS and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID46911384
Molecular FormulaC12H8FN3OS
Molecular Weight261.28 g/mol
Exact Mass261.04
IUPAC Name3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIInChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)
InChIKeyKTQZJPKEGPXLRL-UHFFFAOYSA-N
XLogP2.71
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
N,N'-Bis(4-methyl-2-thiazolyl)-terephthalamide
CID 269341
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
N-(4-methylthiazol-2-yl)-2-phenylacetamide
CID 956653
N-{[(4,5-dimethyl-1,3-thiazol-2-yl)amino]carbonothioyl}benzamide
CID 782768
2-(4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 831465
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 2251173

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 46911384) is 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(F)cc(C#N)c2)n1.
What is the InChIKey of 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is KTQZJPKEGPXLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17).
What are the key properties of 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 46911384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).