4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine

C11H12N2S — CID 731878

IUPAC4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N)n2)cc1C
InChIInChI=1S/C11H12N2S/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10/h3-6H,1-2H3,(H2,12,13)
InChIKeyYAHPYUWCTUAXGT-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.01
Rot. Bonds1

About 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine

4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 731878) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID731878
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N)n2)cc1C
InChIInChI=1S/C11H12N2S/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10/h3-6H,1-2H3,(H2,12,13)
InChIKeyYAHPYUWCTUAXGT-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

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Related Compounds

2-Amino-4,5-diphenylthiazole
CID 73222
2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(4-Cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole
CID 44442376
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702
2-(2-Cyclopentylidenehydrazinyl)-4-phenylthiazole
CID 584447
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine (CID 731878) is 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N)n2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is YAHPYUWCTUAXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-3-4-9(5-8(7)2)10-6-14-11(12)13-10/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine?
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine 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 4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 731878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).