5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine

C7H10N6S — CID 131187148

IUPAC5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(CNc2cc(N)ns2)n[nH]1
InChIInChI=1S/C7H10N6S/c1-4-10-6(12-11-4)3-9-7-2-5(8)13-14-7/h2,9H,3H2,1H3,(H2,8,13)(H,10,11,12)
InChIKeyXBKYJIVVHBTKDA-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.76
Rot. Bonds3

About 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine

5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 131187148) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID131187148
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC Name5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1nc(CNc2cc(N)ns2)n[nH]1
InChIInChI=1S/C7H10N6S/c1-4-10-6(12-11-4)3-9-7-2-5(8)13-14-7/h2,9H,3H2,1H3,(H2,8,13)(H,10,11,12)
InChIKeyXBKYJIVVHBTKDA-UHFFFAOYSA-N
XLogP0.76
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 131187148) is 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1nc(CNc2cc(N)ns2)n[nH]1.
What is the InChIKey of 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is XBKYJIVVHBTKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-4-10-6(12-11-4)3-9-7-2-5(8)13-14-7/h2,9H,3H2,1H3,(H2,8,13)(H,10,11,12).
What are the key properties of 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 210.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 131187148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).