4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile

C8H9ClFN3S — CID 130609600

IUPAC4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile
SMILESCC(C)(CF)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H9ClFN3S/c1-8(2,4-10)13-7-12-6(9)5(3-11)14-7/h4H2,1-2H3,(H,12,13)
InChIKeyLWTDGQWTELPORF-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.83
Rot. Bonds3

About 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile (PubChem CID 130609600) has the molecular formula C8H9ClFN3S and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile
PubChem CID130609600
Molecular FormulaC8H9ClFN3S
Molecular Weight233.70 g/mol
Exact Mass233.02
IUPAC Name4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile
SMILESCC(C)(CF)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H9ClFN3S/c1-8(2,4-10)13-7-12-6(9)5(3-11)14-7/h4H2,1-2H3,(H,12,13)
InChIKeyLWTDGQWTELPORF-UHFFFAOYSA-N
XLogP2.83
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile (CID 130609600) is 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile is CC(C)(CF)Nc1nc(Cl)c(C#N)s1.
What is the InChIKey of 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is LWTDGQWTELPORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3S/c1-8(2,4-10)13-7-12-6(9)5(3-11)14-7/h4H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 233.70 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1-fluoro-2-methylpropan-2-yl)amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 130609600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).