5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C12H22N4S2 — CID 63737330

IUPAC5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNCC2CCCC2)s1
InChIInChI=1S/C12H22N4S2/c1-16(2)11-14-15-12(18-11)17-8-7-13-9-10-5-3-4-6-10/h10,13H,3-9H2,1-2H3
InChIKeyWXSMOSHYJSRPBC-UHFFFAOYSA-N
MW286.47 g/mol
LogP2.48
Rot. Bonds7

About 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63737330) has the molecular formula C12H22N4S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63737330
Molecular FormulaC12H22N4S2
Molecular Weight286.47 g/mol
Exact Mass286.13
IUPAC Name5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SCCNCC2CCCC2)s1
InChIInChI=1S/C12H22N4S2/c1-16(2)11-14-15-12(18-11)17-8-7-13-9-10-5-3-4-6-10/h10,13H,3-9H2,1-2H3
InChIKeyWXSMOSHYJSRPBC-UHFFFAOYSA-N
XLogP2.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63737330) is 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SCCNCC2CCCC2)s1.
What is the InChIKey of 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WXSMOSHYJSRPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S2/c1-16(2)11-14-15-12(18-11)17-8-7-13-9-10-5-3-4-6-10/h10,13H,3-9H2,1-2H3.
What are the key properties of 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 286.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopentylmethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63737330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).