1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

C5H6N6S — CID 82879743

IUPAC1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2nccs2)n1
InChIInChI=1S/C5H6N6S/c6-3-9-4(7)11(10-3)5-8-1-2-12-5/h1-2H,(H4,6,7,9,10)
InChIKeyCDQJNMVGHKASHO-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.11
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine

1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (PubChem CID 82879743) has the molecular formula C5H6N6S and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
PubChem CID82879743
Molecular FormulaC5H6N6S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
SMILESNc1nc(N)n(-c2nccs2)n1
InChIInChI=1S/C5H6N6S/c6-3-9-4(7)11(10-3)5-8-1-2-12-5/h1-2H,(H4,6,7,9,10)
InChIKeyCDQJNMVGHKASHO-UHFFFAOYSA-N
XLogP-0.11
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-thiazol-2-yl)-1,2,4-triazole-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

Related Compounds

Methanimidamide, N,N'-bis(2-thiazolyl)-
CID 2140730
CID 5640478
CID 5640478
Thiazolo[3,2-b][1,2,4]triazole
CID 13755997
[1,2,3,4]Tetrazolo[5,1-B][1,3]thiazole
CID 21780996
(1,2,4)Triazolo(3,4-b)(1,3)thiazol-3-amine
CID 82467760
(Z)-N,N'-di(thiazol-2-yl)formimidamide
CID 6147307
Bisthiazolylamine
CID 12269868
Thiazolo[2,3-c]-1,2,4-triazole
CID 13755998
N,N'-di(thiazol-2-yl)methanediamine
CID 16743616
2-(5-methyl-2H-tetrazol-3-ium-3-yl)-1,3-thiazole
CID 54395233
Methylthiazolyltetrazolium chloride
CID 129705195
Thiazolyl tetrazolium bromide
CID 138376778

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine (CID 82879743) is 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is Nc1nc(N)n(-c2nccs2)n1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
The InChIKey is CDQJNMVGHKASHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S/c6-3-9-4(7)11(10-3)5-8-1-2-12-5/h1-2H,(H4,6,7,9,10).
What are the key properties of 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine?
1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine has a molecular weight of 182.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine is sourced from PubChem (CID 82879743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).