5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C7H11N7S2 — CID 9199499

IUPAC5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(N)s1
InChIInChI=1S/C7H11N7S2/c1-2-3-14-5(9-12-13-14)4-15-7-11-10-6(8)16-7/h2-4H2,1H3,(H2,8,10)
InChIKeyCDEIBKXIEZJXMA-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.81
Rot. Bonds5

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

5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 9199499) has the molecular formula C7H11N7S2 and a molecular weight of 257.35 g/mol. Its IUPAC name is 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID9199499
Molecular FormulaC7H11N7S2
Molecular Weight257.35 g/mol
Exact Mass257.05
IUPAC Name5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(N)s1
InChIInChI=1S/C7H11N7S2/c1-2-3-14-5(9-12-13-14)4-15-7-11-10-6(8)16-7/h2-4H2,1H3,(H2,8,10)
InChIKeyCDEIBKXIEZJXMA-UHFFFAOYSA-N
XLogP0.81
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.81
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-prop-2-enyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 8494857
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

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 9199499) is 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCn1nnnc1CSc1nnc(N)s1.
What is the InChIKey of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CDEIBKXIEZJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7S2/c1-2-3-14-5(9-12-13-14)4-15-7-11-10-6(8)16-7/h2-4H2,1H3,(H2,8,10).
What are the key properties of 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9199499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).