4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C6H8N6S2 — CID 13138440

IUPAC4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1SCc1csc(N)n1
InChIInChI=1S/C6H8N6S2/c1-12-6(9-10-11-12)14-3-4-2-13-5(7)8-4/h2H,3H2,1H3,(H2,7,8)
InChIKeyXLRGKMIJEOXGEU-UHFFFAOYSA-N
MW228.31 g/mol
LogP0.54
Rot. Bonds3

About 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 13138440) has the molecular formula C6H8N6S2 and a molecular weight of 228.31 g/mol. Its IUPAC name is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID13138440
Molecular FormulaC6H8N6S2
Molecular Weight228.31 g/mol
Exact Mass228.03
IUPAC Name4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1SCc1csc(N)n1
InChIInChI=1S/C6H8N6S2/c1-12-6(9-10-11-12)14-3-4-2-13-5(7)8-4/h2H,3H2,1H3,(H2,7,8)
InChIKeyXLRGKMIJEOXGEU-UHFFFAOYSA-N
XLogP0.54
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 13138440) is 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cn1nnnc1SCc1csc(N)n1.
What is the InChIKey of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is XLRGKMIJEOXGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S2/c1-12-6(9-10-11-12)14-3-4-2-13-5(7)8-4/h2H,3H2,1H3,(H2,7,8).
What are the key properties of 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 228.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 13138440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).