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

C9H9ClN4OS — CID 106258413

IUPAC4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile
SMILESCN1CCC(Nc2nc(Cl)c(C#N)s2)C1=O
InChIInChI=1S/C9H9ClN4OS/c1-14-3-2-5(8(14)15)12-9-13-7(10)6(4-11)16-9/h5H,2-3H2,1H3,(H,12,13)
InChIKeyBIRDHVZOZPDHMO-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.31
Rot. Bonds2

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

4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile (PubChem CID 106258413) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile
PubChem CID106258413
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile
SMILESCN1CCC(Nc2nc(Cl)c(C#N)s2)C1=O
InChIInChI=1S/C9H9ClN4OS/c1-14-3-2-5(8(14)15)12-9-13-7(10)6(4-11)16-9/h5H,2-3H2,1H3,(H,12,13)
InChIKeyBIRDHVZOZPDHMO-UHFFFAOYSA-N
XLogP1.31
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-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-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile (CID 106258413) is 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile is CN1CCC(Nc2nc(Cl)c(C#N)s2)C1=O.
What is the InChIKey of 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is BIRDHVZOZPDHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c1-14-3-2-5(8(14)15)12-9-13-7(10)6(4-11)16-9/h5H,2-3H2,1H3,(H,12,13).
What are the key properties of 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 256.72 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106258413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).