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

C10H10N2S — CID 7148568

IUPAC3-(4-methyl-1,3-thiazol-2-yl)aniline
SMILESCc1csc(-c2cccc(N)c2)n1
InChIInChI=1S/C10H10N2S/c1-7-6-13-10(12-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChIKeyGZBUVZDSQJFVBT-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.70
Rot. Bonds1

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

3-(4-methyl-1,3-thiazol-2-yl)aniline (PubChem CID 7148568) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-2-yl)aniline
PubChem CID7148568
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-(4-methyl-1,3-thiazol-2-yl)aniline
SMILESCc1csc(-c2cccc(N)c2)n1
InChIInChI=1S/C10H10N2S/c1-7-6-13-10(12-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3
InChIKeyGZBUVZDSQJFVBT-UHFFFAOYSA-N
XLogP2.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.70
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 3-(4-methyl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 3-(4-methyl-1,3-thiazol-2-yl)aniline (CID 7148568) is 3-(4-methyl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-2-yl)aniline is Cc1csc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-2-yl)aniline?
The InChIKey is GZBUVZDSQJFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-7-6-13-10(12-7)8-3-2-4-9(11)5-8/h2-6H,11H2,1H3.
What are the key properties of 3-(4-methyl-1,3-thiazol-2-yl)aniline?
3-(4-methyl-1,3-thiazol-2-yl)aniline has a molecular weight of 190.27 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 7148568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).