1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine

C7H9N5S — CID 65168466

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
SMILESCc1nc(-n2cnc(N)n2)sc1C
InChIInChI=1S/C7H9N5S/c1-4-5(2)13-7(10-4)12-3-9-6(8)11-12/h3H,1-2H3,(H2,8,11)
InChIKeyIZRWDOIPZNGDOK-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.92
Rot. Bonds1

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine (PubChem CID 65168466) has the molecular formula C7H9N5S and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
PubChem CID65168466
Molecular FormulaC7H9N5S
Molecular Weight195.25 g/mol
Exact Mass195.06
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
SMILESCc1nc(-n2cnc(N)n2)sc1C
InChIInChI=1S/C7H9N5S/c1-4-5(2)13-7(10-4)12-3-9-6(8)11-12/h3H,1-2H3,(H2,8,11)
InChIKeyIZRWDOIPZNGDOK-UHFFFAOYSA-N
XLogP0.92
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine (CID 65168466) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine is Cc1nc(-n2cnc(N)n2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is IZRWDOIPZNGDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S/c1-4-5(2)13-7(10-4)12-3-9-6(8)11-12/h3H,1-2H3,(H2,8,11).
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 195.25 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 65168466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).