2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine

C11H13N3S — CID 102767442

IUPAC2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine
SMILESCc1ccc(C)c(Nc2ncc(N)s2)c1
InChIInChI=1S/C11H13N3S/c1-7-3-4-8(2)9(5-7)14-11-13-6-10(12)15-11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyDFFAXLHYSLZDNC-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.09
Rot. Bonds2

About 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine

2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine (PubChem CID 102767442) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine
PubChem CID102767442
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine
SMILESCc1ccc(C)c(Nc2ncc(N)s2)c1
InChIInChI=1S/C11H13N3S/c1-7-3-4-8(2)9(5-7)14-11-13-6-10(12)15-11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyDFFAXLHYSLZDNC-UHFFFAOYSA-N
XLogP3.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine (CID 102767442) is 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine is Cc1ccc(C)c(Nc2ncc(N)s2)c1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is DFFAXLHYSLZDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7-3-4-8(2)9(5-7)14-11-13-6-10(12)15-11/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine?
2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 219.31 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102767442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).