5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C8H13N7S2 — CID 7698607

IUPAC5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(N)s1
InChIInChI=1S/C8H13N7S2/c1-2-3-4-15-6(10-13-14-15)5-16-8-12-11-7(9)17-8/h2-5H2,1H3,(H2,9,11)
InChIKeyGWGDCPCXDXYZQL-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.20
Rot. Bonds6

About 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 7698607) has the molecular formula C8H13N7S2 and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID7698607
Molecular FormulaC8H13N7S2
Molecular Weight271.38 g/mol
Exact Mass271.07
IUPAC Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(N)s1
InChIInChI=1S/C8H13N7S2/c1-2-3-4-15-6(10-13-14-15)5-16-8-12-11-7(9)17-8/h2-5H2,1H3,(H2,9,11)
InChIKeyGWGDCPCXDXYZQL-UHFFFAOYSA-N
XLogP1.20
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 7698607) is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCCn1nnnc1CSc1nnc(N)s1.
What is the InChIKey of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GWGDCPCXDXYZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7S2/c1-2-3-4-15-6(10-13-14-15)5-16-8-12-11-7(9)17-8/h2-5H2,1H3,(H2,9,11).
What are the key properties of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 271.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7698607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).