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

C11H12N2S — CID 18788468

IUPAC3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline
SMILESCc1cc(N)cc(C)c1-c1cscn1
InChIInChI=1S/C11H12N2S/c1-7-3-9(12)4-8(2)11(7)10-5-14-6-13-10/h3-6H,12H2,1-2H3
InChIKeyILDOILUUYRNSTK-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.01
Rot. Bonds1

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

3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline (PubChem CID 18788468) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline
PubChem CID18788468
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline
SMILESCc1cc(N)cc(C)c1-c1cscn1
InChIInChI=1S/C11H12N2S/c1-7-3-9(12)4-8(2)11(7)10-5-14-6-13-10/h3-6H,12H2,1-2H3
InChIKeyILDOILUUYRNSTK-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 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline?
The IUPAC name of 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline (CID 18788468) is 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline?
The canonical SMILES for 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline is Cc1cc(N)cc(C)c1-c1cscn1.
What is the InChIKey of 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline?
The InChIKey is ILDOILUUYRNSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-3-9(12)4-8(2)11(7)10-5-14-6-13-10/h3-6H,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline?
3,5-dimethyl-4-(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 3,5-dimethyl-4-(1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 18788468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).