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

C11H17N7S2 — CID 18199440

IUPAC5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC2CC2)s1
InChIInChI=1S/C11H17N7S2/c1-2-3-6-18-9(13-16-17-18)7-19-11-15-14-10(20-11)12-8-4-5-8/h8H,2-7H2,1H3,(H,12,14)
InChIKeyDZZRUASJAHCUKM-UHFFFAOYSA-N
MW311.44 g/mol
LogP2.19
Rot. Bonds8

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

5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine (PubChem CID 18199440) has the molecular formula C11H17N7S2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
PubChem CID18199440
Molecular FormulaC11H17N7S2
Molecular Weight311.44 g/mol
Exact Mass311.10
IUPAC Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC2CC2)s1
InChIInChI=1S/C11H17N7S2/c1-2-3-6-18-9(13-16-17-18)7-19-11-15-14-10(20-11)12-8-4-5-8/h8H,2-7H2,1H3,(H,12,14)
InChIKeyDZZRUASJAHCUKM-UHFFFAOYSA-N
XLogP2.19
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 52.19
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-cyclopropyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine (CID 18199440) is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine is CCCCn1nnnc1CSc1nnc(NC2CC2)s1.
What is the InChIKey of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DZZRUASJAHCUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S2/c1-2-3-6-18-9(13-16-17-18)7-19-11-15-14-10(20-11)12-8-4-5-8/h8H,2-7H2,1H3,(H,12,14).
What are the key properties of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine?
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine has a molecular weight of 311.44 g/mol, XLogP of 2.19, 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-cyclopropyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18199440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).