5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine

C11H19N3S2 — CID 80614568

IUPAC5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSCC2CCCC2)s1
InChIInChI=1S/C11H19N3S2/c1-2-12-11-14-13-10(16-11)8-15-7-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyHFMJTMBRWUBHRF-UHFFFAOYSA-N
MW257.43 g/mol
LogP3.39
Rot. Bonds6

About 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine

5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80614568) has the molecular formula C11H19N3S2 and a molecular weight of 257.43 g/mol. Its IUPAC name is 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80614568
Molecular FormulaC11H19N3S2
Molecular Weight257.43 g/mol
Exact Mass257.10
IUPAC Name5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSCC2CCCC2)s1
InChIInChI=1S/C11H19N3S2/c1-2-12-11-14-13-10(16-11)8-15-7-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyHFMJTMBRWUBHRF-UHFFFAOYSA-N
XLogP3.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
5-(oxolan-2-ylmethylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 106495750
N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80613563
5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
N-(2-cyclohexylethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648019
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607133
N-ethyl-5-[(2-ethylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104691834
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613759
2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606596
N-(cyclohexylmethyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615896

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80614568) is 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSCC2CCCC2)s1.
What is the InChIKey of 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HFMJTMBRWUBHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S2/c1-2-12-11-14-13-10(16-11)8-15-7-9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 257.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).