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

C9H15N7S2 — CID 18199595

IUPAC5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC)s1
InChIInChI=1S/C9H15N7S2/c1-3-4-5-16-7(11-14-15-16)6-17-9-13-12-8(10-2)18-9/h3-6H2,1-2H3,(H,10,12)
InChIKeyPXODLLUPPQSPIA-UHFFFAOYSA-N
MW285.40 g/mol
LogP1.66
Rot. Bonds7

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

5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 18199595) has the molecular formula C9H15N7S2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID18199595
Molecular FormulaC9H15N7S2
Molecular Weight285.40 g/mol
Exact Mass285.08
IUPAC Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC)s1
InChIInChI=1S/C9H15N7S2/c1-3-4-5-16-7(11-14-15-16)6-17-9-13-12-8(10-2)18-9/h3-6H2,1-2H3,(H,10,12)
InChIKeyPXODLLUPPQSPIA-UHFFFAOYSA-N
XLogP1.66
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 51.66
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-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 18199595) is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CCCCn1nnnc1CSc1nnc(NC)s1.
What is the InChIKey of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PXODLLUPPQSPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N7S2/c1-3-4-5-16-7(11-14-15-16)6-17-9-13-12-8(10-2)18-9/h3-6H2,1-2H3,(H,10,12).
What are the key properties of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.40 g/mol, XLogP of 1.66, 7 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-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18199595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).