5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile

C11H8FN3S — CID 79376316

IUPAC5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(Nc2cccc(F)c2)c1C#N
InChIInChI=1S/C11H8FN3S/c1-7-10(6-13)11(16-15-7)14-9-4-2-3-8(12)5-9/h2-5,14H,1H3
InChIKeyCFOCYDWOFFRMPE-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.21
Rot. Bonds2

About 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile

5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 79376316) has the molecular formula C11H8FN3S and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID79376316
Molecular FormulaC11H8FN3S
Molecular Weight233.27 g/mol
Exact Mass233.04
IUPAC Name5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(Nc2cccc(F)c2)c1C#N
InChIInChI=1S/C11H8FN3S/c1-7-10(6-13)11(16-15-7)14-9-4-2-3-8(12)5-9/h2-5,14H,1H3
InChIKeyCFOCYDWOFFRMPE-UHFFFAOYSA-N
XLogP3.21
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-cyano-4-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375210
5-(4-bromo-3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375133
3-methyl-5-(3,4,5-trifluoroanilino)-1,2-thiazole-4-carbonitrile
CID 79376054
5-[4-fluoro-3-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375707
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401895
5-(2-chloro-5-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 107531703
5-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376403
5-(3,5-dimethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375201
4-[(4-cyano-3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 79375777
3-methyl-5-(2,4,5-trifluoroanilino)-1,2-thiazole-4-carbonitrile
CID 79376141
3-methyl-5-(2-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
CID 107646947
5-(2-bromo-4,6-difluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375458

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 79376316) is 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile is Cc1nsc(Nc2cccc(F)c2)c1C#N.
What is the InChIKey of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is CFOCYDWOFFRMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3S/c1-7-10(6-13)11(16-15-7)14-9-4-2-3-8(12)5-9/h2-5,14H,1H3.
What are the key properties of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79376316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).