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

C11H12N2S — CID 130933181

IUPAC3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2ccc(N)cc2C)cs1
InChIInChI=1S/C11H12N2S/c1-7-5-9(12)3-4-10(7)11-6-14-8(2)13-11/h3-6H,12H2,1-2H3
InChIKeyZXNBYVGUUPMMOR-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.01
Rot. Bonds1

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

3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 130933181) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID130933181
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCc1nc(-c2ccc(N)cc2C)cs1
InChIInChI=1S/C11H12N2S/c1-7-5-9(12)3-4-10(7)11-6-14-8(2)13-11/h3-6H,12H2,1-2H3
InChIKeyZXNBYVGUUPMMOR-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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Related Compounds

2-methyl-4-[2-methyl-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 70317978
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazol-6-amine
CID 65199108
4-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 82059186
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
2,4-difluoro-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 11117740
4-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-methyl-1,3-thiazole
CID 70990406
1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
5-(4-amino-2-methylphenyl)-1,2,4-oxadiazol-3-amine
CID 65418129
4-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 103083651
4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 22283149

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline (CID 130933181) is 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline is Cc1nc(-c2ccc(N)cc2C)cs1.
What is the InChIKey of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is ZXNBYVGUUPMMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-5-9(12)3-4-10(7)11-6-14-8(2)13-11/h3-6H,12H2,1-2H3.
What are the key properties of 3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline?
3-methyl-4-(2-methyl-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-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 130933181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).