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

C8H10ClN3S — CID 47214667

IUPAC3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile
SMILESCC(C)CNc1snc(Cl)c1C#N
InChIInChI=1S/C8H10ClN3S/c1-5(2)4-11-8-6(3-10)7(9)12-13-8/h5,11H,4H2,1-2H3
InChIKeyTXASUVRRSUFCLP-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.74
Rot. Bonds3

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

3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 47214667) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile
PubChem CID47214667
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile
SMILESCC(C)CNc1snc(Cl)c1C#N
InChIInChI=1S/C8H10ClN3S/c1-5(2)4-11-8-6(3-10)7(9)12-13-8/h5,11H,4H2,1-2H3
InChIKeyTXASUVRRSUFCLP-UHFFFAOYSA-N
XLogP2.74
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.71
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(2-methylpropylamino)-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-methylpropylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile (CID 47214667) is 3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile is CC(C)CNc1snc(Cl)c1C#N.
What is the InChIKey of 3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is TXASUVRRSUFCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-5(2)4-11-8-6(3-10)7(9)12-13-8/h5,11H,4H2,1-2H3.
What are the key properties of 3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile?
3-chloro-5-(2-methylpropylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 215.71 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-methylpropylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 47214667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).