N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

C14H22N2S — CID 113349091

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCCC2=CCCC2)c(C)s1
InChIInChI=1S/C14H22N2S/c1-10(14-11(2)17-12(3)16-14)15-9-8-13-6-4-5-7-13/h6,10,15H,4-5,7-9H2,1-3H3
InChIKeyHJVGYZHNXAWMQI-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.91
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 113349091) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
PubChem CID113349091
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCCC2=CCCC2)c(C)s1
InChIInChI=1S/C14H22N2S/c1-10(14-11(2)17-12(3)16-14)15-9-8-13-6-4-5-7-13/h6,10,15H,4-5,7-9H2,1-3H3
InChIKeyHJVGYZHNXAWMQI-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106169878
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N-[2-(cyclopenten-1-yl)ethyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
CID 115974600
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80681080
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
N-[2-(cyclohexen-1-yl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43103195
1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106168908
1-(3-bromofuran-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 115895910
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[2-(cyclopenten-1-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106169289

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (CID 113349091) is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCCC2=CCCC2)c(C)s1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is HJVGYZHNXAWMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-10(14-11(2)17-12(3)16-14)15-9-8-13-6-4-5-7-13/h6,10,15H,4-5,7-9H2,1-3H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 113349091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).