1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine

C11H16N2S — CID 130951838

IUPAC1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C2=CCCC2)cs1
InChIInChI=1S/C11H16N2S/c1-8(12-2)11-13-10(7-14-11)9-5-3-4-6-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyIGQNOGPSOHVTRG-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.99
Rot. Bonds3

About 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine

1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 130951838) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID130951838
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCNC(C)c1nc(C2=CCCC2)cs1
InChIInChI=1S/C11H16N2S/c1-8(12-2)11-13-10(7-14-11)9-5-3-4-6-9/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyIGQNOGPSOHVTRG-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4984856
1-[4-(2-bromo-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5137111
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3644420
1-(4-methoxy-1,3-thiazol-2-yl)-N-methylethanamine
CID 130870623
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3404523
1-[4-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3647690
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4613320
1-[4-(3,5-ditert-butyl-4-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4569861
1-[4-(4-bromo-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3906583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 130951838) is 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine is CNC(C)c1nc(C2=CCCC2)cs1.
What is the InChIKey of 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is IGQNOGPSOHVTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-8(12-2)11-13-10(7-14-11)9-5-3-4-6-9/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine?
1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 208.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopenten-1-yl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 130951838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).