5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane

C15H20N4S2 — CID 126839562

IUPAC5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane
SMILESCn1c(SCC23CCCN(CC2)C3)nnc1-c1cccs1
InChIInChI=1S/C15H20N4S2/c1-18-13(12-4-2-9-20-12)16-17-14(18)21-11-15-5-3-7-19(10-15)8-6-15/h2,4,9H,3,5-8,10-11H2,1H3
InChIKeyQLOQVZYGAWJVNQ-UHFFFAOYSA-N
MW320.49 g/mol
LogP3.12
Rot. Bonds4

About 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane

5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane (PubChem CID 126839562) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane
PubChem CID126839562
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC Name5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane
SMILESCn1c(SCC23CCCN(CC2)C3)nnc1-c1cccs1
InChIInChI=1S/C15H20N4S2/c1-18-13(12-4-2-9-20-12)16-17-14(18)21-11-15-5-3-7-19(10-15)8-6-15/h2,4,9H,3,5-8,10-11H2,1H3
InChIKeyQLOQVZYGAWJVNQ-UHFFFAOYSA-N
XLogP3.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2473025
3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 679994
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 51280516
propan-2-yl 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 938448
1-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 60536255
3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 10067157
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-thiophen-2-yl-1,2,4-triazole
CID 662645
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 24559248
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24559266
N-carbamoyl-3-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 47135816
N-(2,6-dimethylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1071883
ethyl 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]prop-2-enoate
CID 126809023

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane?
The IUPAC name of 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane (CID 126839562) is 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane.
What is the SMILES notation for 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane?
The canonical SMILES for 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane is Cn1c(SCC23CCCN(CC2)C3)nnc1-c1cccs1.
What is the InChIKey of 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane?
The InChIKey is QLOQVZYGAWJVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S2/c1-18-13(12-4-2-9-20-12)16-17-14(18)21-11-15-5-3-7-19(10-15)8-6-15/h2,4,9H,3,5-8,10-11H2,1H3.
What are the key properties of 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane?
5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane has a molecular weight of 320.49 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-azabicyclo[3.2.1]octane is sourced from PubChem (CID 126839562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).