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

C8H10ClN3S — CID 106594979

IUPAC2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCCC(C)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H10ClN3S/c1-3-5(2)11-8-12-7(9)6(4-10)13-8/h5H,3H2,1-2H3,(H,11,12)
InChIKeyOSKZMPWSXCYVED-UHFFFAOYSA-N
MW215.71 g/mol
LogP2.88
Rot. Bonds3

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

2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile (PubChem CID 106594979) has the molecular formula C8H10ClN3S and a molecular weight of 215.71 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
PubChem CID106594979
Molecular FormulaC8H10ClN3S
Molecular Weight215.71 g/mol
Exact Mass215.03
IUPAC Name2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
SMILESCCC(C)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C8H10ClN3S/c1-3-5(2)11-8-12-7(9)6(4-10)13-8/h5H,3H2,1-2H3,(H,11,12)
InChIKeyOSKZMPWSXCYVED-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(butan-2-ylamino)-4-chloro-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 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile (CID 106594979) is 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile is CCC(C)Nc1nc(Cl)c(C#N)s1.
What is the InChIKey of 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
The InChIKey is OSKZMPWSXCYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3S/c1-3-5(2)11-8-12-7(9)6(4-10)13-8/h5H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile?
2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile has a molecular weight of 215.71 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106594979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).