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

C10H17N7S2 — CID 18092535

IUPAC5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NCC)s1
InChIInChI=1S/C10H17N7S2/c1-3-5-6-17-8(12-15-16-17)7-18-10-14-13-9(19-10)11-4-2/h3-7H2,1-2H3,(H,11,13)
InChIKeyRZDNBQSIXJNQHY-UHFFFAOYSA-N
MW299.43 g/mol
LogP2.05
Rot. Bonds8

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

5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 18092535) has the molecular formula C10H17N7S2 and a molecular weight of 299.43 g/mol. Its IUPAC name is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID18092535
Molecular FormulaC10H17N7S2
Molecular Weight299.43 g/mol
Exact Mass299.10
IUPAC Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NCC)s1
InChIInChI=1S/C10H17N7S2/c1-3-5-6-17-8(12-15-16-17)7-18-10-14-13-9(19-10)11-4-2/h3-7H2,1-2H3,(H,11,13)
InChIKeyRZDNBQSIXJNQHY-UHFFFAOYSA-N
XLogP2.05
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.43
LogP ≤ 52.05
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]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 18092535) is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCCCn1nnnc1CSc1nnc(NCC)s1.
What is the InChIKey of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RZDNBQSIXJNQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7S2/c1-3-5-6-17-8(12-15-16-17)7-18-10-14-13-9(19-10)11-4-2/h3-7H2,1-2H3,(H,11,13).
What are the key properties of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 299.43 g/mol, XLogP of 2.05, 8 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]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18092535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).