5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine

C9H13N3S — CID 123584574

IUPAC5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESC=CC1CCC(c2nnc(N)s2)C1
InChIInChI=1S/C9H13N3S/c1-2-6-3-4-7(5-6)8-11-12-9(10)13-8/h2,6-7H,1,3-5H2,(H2,10,12)
InChIKeyBYTGUISYSOJONK-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.19
Rot. Bonds2

About 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine

5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine (PubChem CID 123584574) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine
PubChem CID123584574
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine
SMILESC=CC1CCC(c2nnc(N)s2)C1
InChIInChI=1S/C9H13N3S/c1-2-6-3-4-7(5-6)8-11-12-9(10)13-8/h2,6-7H,1,3-5H2,(H2,10,12)
InChIKeyBYTGUISYSOJONK-UHFFFAOYSA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
CID 144630869
5-(4-iodocyclohexyl)-1,3,4-thiadiazol-2-amine
CID 21454636
5-(4-chlorocyclohexyl)-1,3,4-thiadiazol-2-amine
CID 21447844
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 126600075
5-[(3S)-oxolan-3-yl]-1,3,4-thiadiazol-2-amine
CID 94191622
5-[(1S,3S)-3-(2-amino-3-methyl-2H-1,3,4-thiadiazol-5-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 138481149
N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
CID 138478455
N-[5-[(1S,3R)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
CID 138478505
5-[3-[5-(5,5,5-trifluoropentan-2-ylideneamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 123883980
5-[3-(7-imino-4-methyl-5,6-dihydro-4H-1,3-thiazepin-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-amine
CID 123298397
5-[[3-(5-methyl-1,3,4-thiadiazol-2-yl)cyclobutyl]methyl]-1,3,4-thiadiazol-2-amine
CID 158932786
5-(2-aminopropan-2-yl)-1,3,4-thiadiazol-2-amine;trihydrochloride
CID 75530993

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine (CID 123584574) is 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine is C=CC1CCC(c2nnc(N)s2)C1.
What is the InChIKey of 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is BYTGUISYSOJONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-2-6-3-4-7(5-6)8-11-12-9(10)13-8/h2,6-7H,1,3-5H2,(H2,10,12).
What are the key properties of 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine?
5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 195.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethenylcyclopentyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 123584574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).