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

C8H12N6S — CID 103365106

IUPAC4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCn1ccnn1
InChIInChI=1S/C8H12N6S/c1-6-7(9)12-15-8(6)10-2-4-14-5-3-11-13-14/h3,5,10H,2,4H2,1H3,(H2,9,12)
InChIKeyVQWWSQBOIKQXFC-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.74
Rot. Bonds4

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

4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103365106) has the molecular formula C8H12N6S and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103365106
Molecular FormulaC8H12N6S
Molecular Weight224.29 g/mol
Exact Mass224.08
IUPAC Name4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCCn1ccnn1
InChIInChI=1S/C8H12N6S/c1-6-7(9)12-15-8(6)10-2-4-14-5-3-11-13-14/h3,5,10H,2,4H2,1H3,(H2,9,12)
InChIKeyVQWWSQBOIKQXFC-UHFFFAOYSA-N
XLogP0.74
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103365106) is 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCCn1ccnn1.
What is the InChIKey of 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is VQWWSQBOIKQXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6S/c1-6-7(9)12-15-8(6)10-2-4-14-5-3-11-13-14/h3,5,10H,2,4H2,1H3,(H2,9,12).
What are the key properties of 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 224.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[2-(triazol-1-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).