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

C10H17N3S — CID 126610936

IUPACN-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C2CCC(C)C2)s1
InChIInChI=1S/C10H17N3S/c1-3-11-10-13-12-9(14-10)8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyNRRAIEQNEOKINR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.87
Rot. Bonds3

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

N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine (PubChem CID 126610936) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
PubChem CID126610936
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C2CCC(C)C2)s1
InChIInChI=1S/C10H17N3S/c1-3-11-10-13-12-9(14-10)8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyNRRAIEQNEOKINR-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.87
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-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-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 107413926
N-(cyclopentylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448228
5-tert-butyl-N-[(3,3-difluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
CID 167755673
5-ethyl-N-[(1-fluorocyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
CID 167860379
5-cyclohexyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 83880222
N-ethyl-5-(4-methyl-6-methylsulfanylhept-6-en-2-yl)-1,3,4-thiadiazol-2-amine
CID 123937327
5-[[(1R,3S)-3-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-amine
CID 126600063

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine (CID 126610936) is N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(C2CCC(C)C2)s1.
What is the InChIKey of N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is NRRAIEQNEOKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-11-10-13-12-9(14-10)8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(3-methylcyclopentyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126610936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).