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

C11H12N2S — CID 82126255

IUPAC3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(N)c2)c(C)s1
InChIInChI=1S/C11H12N2S/c1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9/h3-6H,12H2,1-2H3
InChIKeyLPJWFRYVXKBAIW-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.01
Rot. Bonds1

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

3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline (PubChem CID 82126255) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline
PubChem CID82126255
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2cccc(N)c2)c(C)s1
InChIInChI=1S/C11H12N2S/c1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9/h3-6H,12H2,1-2H3
InChIKeyLPJWFRYVXKBAIW-UHFFFAOYSA-N
XLogP3.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 53.01
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-(2,5-dimethyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline (CID 82126255) is 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2cccc(N)c2)c(C)s1.
What is the InChIKey of 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline?
The InChIKey is LPJWFRYVXKBAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-11(13-8(2)14-7)9-4-3-5-10(12)6-9/h3-6H,12H2,1-2H3.
What are the key properties of 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline?
3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline has a molecular weight of 204.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 82126255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).