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

C14H23N7S2 — CID 17481445

IUPAC5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC2CCCCC2)s1
InChIInChI=1S/C14H23N7S2/c1-2-3-9-21-12(16-19-20-21)10-22-14-18-17-13(23-14)15-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,17)
InChIKeyPRCNQXHUPOBXGO-UHFFFAOYSA-N
MW353.52 g/mol
LogP3.36
Rot. Bonds8

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

5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine (PubChem CID 17481445) has the molecular formula C14H23N7S2 and a molecular weight of 353.52 g/mol. Its IUPAC name is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine
PubChem CID17481445
Molecular FormulaC14H23N7S2
Molecular Weight353.52 g/mol
Exact Mass353.15
IUPAC Name5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine
SMILESCCCCn1nnnc1CSc1nnc(NC2CCCCC2)s1
InChIInChI=1S/C14H23N7S2/c1-2-3-9-21-12(16-19-20-21)10-22-14-18-17-13(23-14)15-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,17)
InChIKeyPRCNQXHUPOBXGO-UHFFFAOYSA-N
XLogP3.36
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(1-Butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7698607
N-ethyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8350639
N-methyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8477528
N-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 16564913
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 18092535
N-tert-butyl-5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18101362
N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18101373
N-butyl-5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18199050
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 18199282
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 18199440
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 18199595
N-cyclohexyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 27918595

Frequently Asked Questions

What is the IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine (CID 17481445) is 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine is CCCCn1nnnc1CSc1nnc(NC2CCCCC2)s1.
What is the InChIKey of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PRCNQXHUPOBXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7S2/c1-2-3-9-21-12(16-19-20-21)10-22-14-18-17-13(23-14)15-11-7-5-4-6-8-11/h11H,2-10H2,1H3,(H,15,17).
What are the key properties of 5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine?
5-[(1-butyltetrazol-5-yl)methylsulfanyl]-N-cyclohexyl-1,3,4-thiadiazol-2-amine has a molecular weight of 353.52 g/mol, XLogP of 3.36, 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-cyclohexyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 17481445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).