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

C10H10N2S — CID 131093612

IUPAC5-methyl-2-(1,2-thiazol-3-yl)aniline
SMILESCc1ccc(-c2ccsn2)c(N)c1
InChIInChI=1S/C10H10N2S/c1-7-2-3-8(9(11)6-7)10-4-5-13-12-10/h2-6H,11H2,1H3
InChIKeyNABWPZDHIZJQNE-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.70
Rot. Bonds1

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

5-methyl-2-(1,2-thiazol-3-yl)aniline (PubChem CID 131093612) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 5-methyl-2-(1,2-thiazol-3-yl)aniline.

Molecular Properties

Compound Name5-methyl-2-(1,2-thiazol-3-yl)aniline
PubChem CID131093612
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name5-methyl-2-(1,2-thiazol-3-yl)aniline
SMILESCc1ccc(-c2ccsn2)c(N)c1
InChIInChI=1S/C10H10N2S/c1-7-2-3-8(9(11)6-7)10-4-5-13-12-10/h2-6H,11H2,1H3
InChIKeyNABWPZDHIZJQNE-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 5-methyl-2-(1,2-thiazol-3-yl)aniline?
The IUPAC name of 5-methyl-2-(1,2-thiazol-3-yl)aniline (CID 131093612) is 5-methyl-2-(1,2-thiazol-3-yl)aniline.
What is the SMILES notation for 5-methyl-2-(1,2-thiazol-3-yl)aniline?
The canonical SMILES for 5-methyl-2-(1,2-thiazol-3-yl)aniline is Cc1ccc(-c2ccsn2)c(N)c1.
What is the InChIKey of 5-methyl-2-(1,2-thiazol-3-yl)aniline?
The InChIKey is NABWPZDHIZJQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-7-2-3-8(9(11)6-7)10-4-5-13-12-10/h2-6H,11H2,1H3.
What are the key properties of 5-methyl-2-(1,2-thiazol-3-yl)aniline?
5-methyl-2-(1,2-thiazol-3-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 5-methyl-2-(1,2-thiazol-3-yl)aniline is sourced from PubChem (CID 131093612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).