2-(2-methyl-1,3-thiazol-5-yl)aniline

C10H10N2S — CID 53429036

IUPAC2-(2-methyl-1,3-thiazol-5-yl)aniline
SMILESCc1ncc(-c2ccccc2N)s1
InChIInChI=1S/C10H10N2S/c1-7-12-6-10(13-7)8-4-2-3-5-9(8)11/h2-6H,11H2,1H3
InChIKeyUCEIQXPTBWULMK-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.70
Rot. Bonds1

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

2-(2-methyl-1,3-thiazol-5-yl)aniline (PubChem CID 53429036) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-5-yl)aniline
PubChem CID53429036
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name2-(2-methyl-1,3-thiazol-5-yl)aniline
SMILESCc1ncc(-c2ccccc2N)s1
InChIInChI=1S/C10H10N2S/c1-7-12-6-10(13-7)8-4-2-3-5-9(8)11/h2-6H,11H2,1H3
InChIKeyUCEIQXPTBWULMK-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 2-(2-methyl-1,3-thiazol-5-yl)aniline?
The IUPAC name of 2-(2-methyl-1,3-thiazol-5-yl)aniline (CID 53429036) is 2-(2-methyl-1,3-thiazol-5-yl)aniline.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-5-yl)aniline?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-5-yl)aniline is Cc1ncc(-c2ccccc2N)s1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-5-yl)aniline?
The InChIKey is UCEIQXPTBWULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-7-12-6-10(13-7)8-4-2-3-5-9(8)11/h2-6H,11H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-5-yl)aniline?
2-(2-methyl-1,3-thiazol-5-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 2-(2-methyl-1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 53429036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).