3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine

C14H23N7S — CID 167943649

IUPAC3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(Cc2nnn(C)n2)CC2CCC(C)C2)n1
InChIInChI=1S/C14H23N7S/c1-4-12-15-14(22-18-12)21(8-11-6-5-10(2)7-11)9-13-16-19-20(3)17-13/h10-11H,4-9H2,1-3H3
InChIKeyGQSQTDQETAOKTK-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.07
Rot. Bonds6

About 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine

3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 167943649) has the molecular formula C14H23N7S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID167943649
Molecular FormulaC14H23N7S
Molecular Weight321.45 g/mol
Exact Mass321.17
IUPAC Name3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(Cc2nnn(C)n2)CC2CCC(C)C2)n1
InChIInChI=1S/C14H23N7S/c1-4-12-15-14(22-18-12)21(8-11-6-5-10(2)7-11)9-13-16-19-20(3)17-13/h10-11H,4-9H2,1-3H3
InChIKeyGQSQTDQETAOKTK-UHFFFAOYSA-N
XLogP2.07
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 167943649) is 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(N(Cc2nnn(C)n2)CC2CCC(C)C2)n1.
What is the InChIKey of 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GQSQTDQETAOKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7S/c1-4-12-15-14(22-18-12)21(8-11-6-5-10(2)7-11)9-13-16-19-20(3)17-13/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 321.45 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-methylcyclopentyl)methyl]-N-[(2-methyltetrazol-5-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 167943649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).