4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine

C6H7N5S2 — CID 4235691

IUPAC4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CSc2ncn[nH]2)cs1
InChIInChI=1S/C6H7N5S2/c7-5-10-4(1-12-5)2-13-6-8-3-9-11-6/h1,3H,2H2,(H2,7,10)(H,8,9,11)
InChIKeyLPKCIANVSGVBNA-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.14
Rot. Bonds3

About 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine

4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 4235691) has the molecular formula C6H7N5S2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID4235691
Molecular FormulaC6H7N5S2
Molecular Weight213.29 g/mol
Exact Mass213.01
IUPAC Name4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CSc2ncn[nH]2)cs1
InChIInChI=1S/C6H7N5S2/c7-5-10-4(1-12-5)2-13-6-8-3-9-11-6/h1,3H,2H2,(H2,7,10)(H,8,9,11)
InChIKeyLPKCIANVSGVBNA-UHFFFAOYSA-N
XLogP1.14
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine (CID 4235691) is 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine is Nc1nc(CSc2ncn[nH]2)cs1.
What is the InChIKey of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is LPKCIANVSGVBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S2/c7-5-10-4(1-12-5)2-13-6-8-3-9-11-6/h1,3H,2H2,(H2,7,10)(H,8,9,11).
What are the key properties of 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 213.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4235691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).