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

C10H15N3S — CID 103844163

IUPACN-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2=CCCC2)s1
InChIInChI=1S/C10H15N3S/c1-8-12-13-10(14-8)11-7-6-9-4-2-3-5-9/h4H,2-3,5-7H2,1H3,(H,11,13)
InChIKeyFRKPFMFPAITVSR-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.76
Rot. Bonds4

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

N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 103844163) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID103844163
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCCC2=CCCC2)s1
InChIInChI=1S/C10H15N3S/c1-8-12-13-10(14-8)11-7-6-9-4-2-3-5-9/h4H,2-3,5-7H2,1H3,(H,11,13)
InChIKeyFRKPFMFPAITVSR-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.76
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

N-[2-(cyclopenten-1-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586377
N-[2-(cyclohexen-1-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448061
N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982575
N-cyclohex-3-en-1-yl-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982801
N-cyclopent-3-en-1-yl-5-propyl-1,3,4-thiadiazol-2-amine
CID 71848178
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 103844168
N-(cyclohex-3-en-1-ylmethyl)-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260933
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106261065
5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107489146
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648127
N-(cyclohex-3-en-1-ylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107648149
N-hex-5-en-2-yl-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648232

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 103844163) is N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCCC2=CCCC2)s1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is FRKPFMFPAITVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-12-13-10(14-8)11-7-6-9-4-2-3-5-9/h4H,2-3,5-7H2,1H3,(H,11,13).
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 209.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103844163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).