5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine

C5H6N6S2 — CID 54027407

IUPAC5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine
SMILESNc1nc(Sc2cnc(N)s2)n[nH]1
InChIInChI=1S/C5H6N6S2/c6-3-9-5(11-10-3)13-2-1-8-4(7)12-2/h1H,(H2,7,8)(H3,6,9,10,11)
InChIKeyLDEDBOBROUFPKX-UHFFFAOYSA-N
MW214.28 g/mol
LogP0.58
Rot. Bonds2

About 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine

5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine (PubChem CID 54027407) has the molecular formula C5H6N6S2 and a molecular weight of 214.28 g/mol. Its IUPAC name is 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine
PubChem CID54027407
Molecular FormulaC5H6N6S2
Molecular Weight214.28 g/mol
Exact Mass214.01
IUPAC Name5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine
SMILESNc1nc(Sc2cnc(N)s2)n[nH]1
InChIInChI=1S/C5H6N6S2/c6-3-9-5(11-10-3)13-2-1-8-4(7)12-2/h1H,(H2,7,8)(H3,6,9,10,11)
InChIKeyLDEDBOBROUFPKX-UHFFFAOYSA-N
XLogP0.58
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine (CID 54027407) is 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine is Nc1nc(Sc2cnc(N)s2)n[nH]1.
What is the InChIKey of 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine?
The InChIKey is LDEDBOBROUFPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S2/c6-3-9-5(11-10-3)13-2-1-8-4(7)12-2/h1H,(H2,7,8)(H3,6,9,10,11).
What are the key properties of 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine?
5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine has a molecular weight of 214.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54027407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).