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

C10H9ClN2S — CID 82473391

IUPAC4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline
SMILESCc1csc(-c2cc(Cl)ccc2N)n1
InChIInChI=1S/C10H9ClN2S/c1-6-5-14-10(13-6)8-4-7(11)2-3-9(8)12/h2-5H,12H2,1H3
InChIKeyHKATWCJPWBAZSP-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.35
Rot. Bonds1

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

4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline (PubChem CID 82473391) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline
PubChem CID82473391
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline
SMILESCc1csc(-c2cc(Cl)ccc2N)n1
InChIInChI=1S/C10H9ClN2S/c1-6-5-14-10(13-6)8-4-7(11)2-3-9(8)12/h2-5H,12H2,1H3
InChIKeyHKATWCJPWBAZSP-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline (CID 82473391) is 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline is Cc1csc(-c2cc(Cl)ccc2N)n1.
What is the InChIKey of 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline?
The InChIKey is HKATWCJPWBAZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-6-5-14-10(13-6)8-4-7(11)2-3-9(8)12/h2-5H,12H2,1H3.
What are the key properties of 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline?
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline has a molecular weight of 224.72 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 82473391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).