2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile

C10H3IN4S3 — CID 146331597

IUPAC2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2csc(-c3csc(I)n3)n2)n1
InChIInChI=1S/C10H3IN4S3/c11-10-15-7(4-18-10)9-14-6(3-17-9)8-13-5(1-12)2-16-8/h2-4H
InChIKeyFTGIKHBFAFLZKF-UHFFFAOYSA-N
MW402.27 g/mol
LogP3.87
Rot. Bonds2

About 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile

2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile (PubChem CID 146331597) has the molecular formula C10H3IN4S3 and a molecular weight of 402.27 g/mol. Its IUPAC name is 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile
PubChem CID146331597
Molecular FormulaC10H3IN4S3
Molecular Weight402.27 g/mol
Exact Mass401.86
IUPAC Name2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2csc(-c3csc(I)n3)n2)n1
InChIInChI=1S/C10H3IN4S3/c11-10-15-7(4-18-10)9-14-6(3-17-9)8-13-5(1-12)2-16-8/h2-4H
InChIKeyFTGIKHBFAFLZKF-UHFFFAOYSA-N
XLogP3.87
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-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 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile (CID 146331597) is 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile is N#Cc1csc(-c2csc(-c3csc(I)n3)n2)n1.
What is the InChIKey of 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile?
The InChIKey is FTGIKHBFAFLZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3IN4S3/c11-10-15-7(4-18-10)9-14-6(3-17-9)8-13-5(1-12)2-16-8/h2-4H.
What are the key properties of 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile?
2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile has a molecular weight of 402.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-iodo-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 146331597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).