5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine

C11H12N2S — CID 83908678

IUPAC5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine
SMILESCc1ccc(-c2cc(N)ns2)cc1C
InChIInChI=1S/C11H12N2S/c1-7-3-4-9(5-8(7)2)10-6-11(12)13-14-10/h3-6H,1-2H3,(H2,12,13)
InChIKeySVBNKGVTJUGYBI-UHFFFAOYSA-N
MW204.30 g/mol
LogP3.01
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine

5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine (PubChem CID 83908678) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine
PubChem CID83908678
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine
SMILESCc1ccc(-c2cc(N)ns2)cc1C
InChIInChI=1S/C11H12N2S/c1-7-3-4-9(5-8(7)2)10-6-11(12)13-14-10/h3-6H,1-2H3,(H2,12,13)
InChIKeySVBNKGVTJUGYBI-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine (CID 83908678) is 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine is Cc1ccc(-c2cc(N)ns2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine?
The InChIKey is SVBNKGVTJUGYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-7-3-4-9(5-8(7)2)10-6-11(12)13-14-10/h3-6H,1-2H3,(H2,12,13).
What are the key properties of 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine?
5-(3,4-dimethylphenyl)-1,2-thiazol-3-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 5-(3,4-dimethylphenyl)-1,2-thiazol-3-amine is sourced from PubChem (CID 83908678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).