5-chloro-2-(1,3-thiazol-4-yl)aniline

C9H7ClN2S — CID 130774740

IUPAC5-chloro-2-(1,3-thiazol-4-yl)aniline
SMILESNc1cc(Cl)ccc1-c1cscn1
InChIInChI=1S/C9H7ClN2S/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H,11H2
InChIKeyLNVZGKUMZCVIAZ-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.05
Rot. Bonds1

About 5-chloro-2-(1,3-thiazol-4-yl)aniline

5-chloro-2-(1,3-thiazol-4-yl)aniline (PubChem CID 130774740) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 5-chloro-2-(1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(1,3-thiazol-4-yl)aniline
PubChem CID130774740
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name5-chloro-2-(1,3-thiazol-4-yl)aniline
SMILESNc1cc(Cl)ccc1-c1cscn1
InChIInChI=1S/C9H7ClN2S/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H,11H2
InChIKeyLNVZGKUMZCVIAZ-UHFFFAOYSA-N
XLogP3.05
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(1,3-thiazol-4-yl)aniline 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 5-chloro-2-(1,3-thiazol-4-yl)aniline?
The IUPAC name of 5-chloro-2-(1,3-thiazol-4-yl)aniline (CID 130774740) is 5-chloro-2-(1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 5-chloro-2-(1,3-thiazol-4-yl)aniline?
The canonical SMILES for 5-chloro-2-(1,3-thiazol-4-yl)aniline is Nc1cc(Cl)ccc1-c1cscn1.
What is the InChIKey of 5-chloro-2-(1,3-thiazol-4-yl)aniline?
The InChIKey is LNVZGKUMZCVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c10-6-1-2-7(8(11)3-6)9-4-13-5-12-9/h1-5H,11H2.
What are the key properties of 5-chloro-2-(1,3-thiazol-4-yl)aniline?
5-chloro-2-(1,3-thiazol-4-yl)aniline has a molecular weight of 210.69 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 130774740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).