5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

C12H22N4S — CID 80606575

IUPAC5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC)C2CCCC2)s1
InChIInChI=1S/C12H22N4S/c1-3-13-12-15-14-11(17-12)9-16(4-2)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyCAHIMVGLSVRYDF-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.73
Rot. Bonds6

About 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine

5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606575) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80606575
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN(CC)C2CCCC2)s1
InChIInChI=1S/C12H22N4S/c1-3-13-12-15-14-11(17-12)9-16(4-2)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyCAHIMVGLSVRYDF-UHFFFAOYSA-N
XLogP2.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]acetamide
CID 80606596
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
N-ethyl-5-[[methyl-(2-methylcyclohexyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607133
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
N,N,N'-triethyl-N'-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 102996900
5-[[cyclopentyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606273
5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614568
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylcyclohexanamine
CID 80613778
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606197

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80606575) is 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN(CC)C2CCCC2)s1.
What is the InChIKey of 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is CAHIMVGLSVRYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-3-13-12-15-14-11(17-12)9-16(4-2)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine?
5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).