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

C7H6ClF2N3S — CID 131208998

IUPAC3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile
SMILESCC(F)(F)CNc1snc(Cl)c1C#N
InChIInChI=1S/C7H6ClF2N3S/c1-7(9,10)3-12-6-4(2-11)5(8)13-14-6/h12H,3H2,1H3
InChIKeyUYVWDPBGSFQVKU-UHFFFAOYSA-N
MW237.66 g/mol
LogP2.74
Rot. Bonds3

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

3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 131208998) has the molecular formula C7H6ClF2N3S and a molecular weight of 237.66 g/mol. Its IUPAC name is 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile
PubChem CID131208998
Molecular FormulaC7H6ClF2N3S
Molecular Weight237.66 g/mol
Exact Mass236.99
IUPAC Name3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile
SMILESCC(F)(F)CNc1snc(Cl)c1C#N
InChIInChI=1S/C7H6ClF2N3S/c1-7(9,10)3-12-6-4(2-11)5(8)13-14-6/h12H,3H2,1H3
InChIKeyUYVWDPBGSFQVKU-UHFFFAOYSA-N
XLogP2.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-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 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile (CID 131208998) is 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile is CC(F)(F)CNc1snc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is UYVWDPBGSFQVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3S/c1-7(9,10)3-12-6-4(2-11)5(8)13-14-6/h12H,3H2,1H3.
What are the key properties of 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 237.66 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,2-difluoropropylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 131208998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).