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

C6H8N6S2 — CID 13206579

IUPAC5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1SCc1cnc(N)s1
InChIInChI=1S/C6H8N6S2/c1-12-6(9-10-11-12)13-3-4-2-8-5(7)14-4/h2H,3H2,1H3,(H2,7,8)
InChIKeyCCINMVBZUJSISF-UHFFFAOYSA-N
MW228.31 g/mol
LogP0.54
Rot. Bonds3

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

5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 13206579) has the molecular formula C6H8N6S2 and a molecular weight of 228.31 g/mol. Its IUPAC name is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID13206579
Molecular FormulaC6H8N6S2
Molecular Weight228.31 g/mol
Exact Mass228.03
IUPAC Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1SCc1cnc(N)s1
InChIInChI=1S/C6H8N6S2/c1-12-6(9-10-11-12)13-3-4-2-8-5(7)14-4/h2H,3H2,1H3,(H2,7,8)
InChIKeyCCINMVBZUJSISF-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 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 13206579) is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Cn1nnnc1SCc1cnc(N)s1.
What is the InChIKey of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is CCINMVBZUJSISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S2/c1-12-6(9-10-11-12)13-3-4-2-8-5(7)14-4/h2H,3H2,1H3,(H2,7,8).
What are the key properties of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
5-[(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 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 13206579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).