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

C11H19N7S2 — CID 18199282

IUPAC5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC(C)C)s1
InChIInChI=1S/C11H19N7S2/c1-4-5-6-18-9(13-16-17-18)7-19-11-15-14-10(20-11)12-8(2)3/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyRTQREYZSPDKMJP-UHFFFAOYSA-N
MW313.46 g/mol
LogP2.44
Rot. Bonds8

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

5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 18199282) has the molecular formula C11H19N7S2 and a molecular weight of 313.46 g/mol. Its IUPAC name is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID18199282
Molecular FormulaC11H19N7S2
Molecular Weight313.46 g/mol
Exact Mass313.11
IUPAC Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC(C)C)s1
InChIInChI=1S/C11H19N7S2/c1-4-5-6-18-9(13-16-17-18)7-19-11-15-14-10(20-11)12-8(2)3/h8H,4-7H2,1-3H3,(H,12,14)
InChIKeyRTQREYZSPDKMJP-UHFFFAOYSA-N
XLogP2.44
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.46
LogP ≤ 52.44
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-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 18199282) is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CCCCn1nnnc1CSc1nnc(NC(C)C)s1.
What is the InChIKey of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is RTQREYZSPDKMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N7S2/c1-4-5-6-18-9(13-16-17-18)7-19-11-15-14-10(20-11)12-8(2)3/h8H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 313.46 g/mol, XLogP of 2.44, 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-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18199282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).