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

C10H17N3S — CID 107648009

IUPACN-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-2-9-12-13-10(14-9)11-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyRITBEGFFYOESCC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.70
Rot. Bonds4

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

N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107648009) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107648009
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCCC2)s1
InChIInChI=1S/C10H17N3S/c1-2-9-12-13-10(14-9)11-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyRITBEGFFYOESCC-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 71850467
N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647731
5-tert-butyl-N-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
CID 172436004
N-cyclopentyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 676548
N-cyclopentyl-5-propyl-1,3,4-thiadiazol-2-amine
CID 2305533
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-ethyl-1,3,4-thiadiazol-2-amine
CID 122561297
N-(3-cyclopentylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104923827
N-[(1-methylsulfanylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 105824244
5-(2-methylpropyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106260354
5-(2-methylpropyl)-N-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106260496
5-(2-methylpropyl)-N-(6,6,6-trifluorohexan-2-yl)-1,3,4-thiadiazol-2-amine
CID 106261063
5-(2-methylpropyl)-N-[2-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 106261099

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107648009) is N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NCC2CCCC2)s1.
What is the InChIKey of N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RITBEGFFYOESCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-9-12-13-10(14-9)11-7-8-5-3-4-6-8/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).