N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine

C13H22N2S — CID 65415825

IUPACN-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(C2CCC(C)C2)n1
InChIInChI=1S/C13H22N2S/c1-4-14-10(3)12-8-16-13(15-12)11-6-5-9(2)7-11/h8-11,14H,4-7H2,1-3H3
InChIKeyRCGSGXBSIUEHTP-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.72
Rot. Bonds4

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

N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 65415825) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID65415825
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(C2CCC(C)C2)n1
InChIInChI=1S/C13H22N2S/c1-4-14-10(3)12-8-16-13(15-12)11-6-5-9(2)7-11/h8-11,14H,4-7H2,1-3H3
InChIKeyRCGSGXBSIUEHTP-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5,6-dimethyl-1,4-dithian-2-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 103346522
4-(dimethoxymethyl)-2-(3-methylcyclohexyl)-1,3-thiazole
CID 66056536
N-ethyl-1-[4-methyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 65414648
(1R)-1-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]ethanamine
CID 97021503
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N-ethyl-1-[2-(1-methoxy-3-methylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 116774601
N-butyl-N-cyclopropyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64544356
4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
CID 169267593
N-ethyl-1-(2-pentan-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64545111
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709
N-cyclopropyl-4-[1-(ethylamino)ethyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 64543352
N-(cyclopentylmethyl)-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64544590

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine (CID 65415825) is N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine is CCNC(C)c1csc(C2CCC(C)C2)n1.
What is the InChIKey of N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is RCGSGXBSIUEHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-4-14-10(3)12-8-16-13(15-12)11-6-5-9(2)7-11/h8-11,14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine?
N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 238.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-methylcyclopentyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 65415825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).