1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

C10H17N3S2 — CID 104755413

IUPAC1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCNC(CSc1nncs1)C1CCCC1
InChIInChI=1S/C10H17N3S2/c1-11-9(8-4-2-3-5-8)6-14-10-13-12-7-15-10/h7-9,11H,2-6H2,1H3
InChIKeyHTNQJBZYJYHFSY-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.41
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine

1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 104755413) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID104755413
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCNC(CSc1nncs1)C1CCCC1
InChIInChI=1S/C10H17N3S2/c1-11-9(8-4-2-3-5-8)6-14-10-13-12-7-15-10/h7-9,11H,2-6H2,1H3
InChIKeyHTNQJBZYJYHFSY-UHFFFAOYSA-N
XLogP2.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 104755410
N-methyl-1-(4-propan-2-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 64649193
2-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazole
CID 66224085
1-cyclopentyl-N-methyl-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755526
1-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylethanamine
CID 104755547
2-(thiiran-2-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 175403476
N-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexanamine
CID 87276544
1-cyclohexyl-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066194
1-cyclopentyl-N-methyl-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755248
1-cyclopentyl-N-methyl-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 104755786
1-cyclopentyl-N-methyl-2-pyrimidin-4-ylsulfanylethanamine
CID 104755698
1-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylethanamine
CID 113449522

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 104755413) is 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is CNC(CSc1nncs1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is HTNQJBZYJYHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-11-9(8-4-2-3-5-8)6-14-10-13-12-7-15-10/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 243.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 104755413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).