[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

C13H23N3S — CID 83221011

IUPAC[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(N2C(C)CCC2CC)sc1CN
InChIInChI=1S/C13H23N3S/c1-4-10-7-6-9(3)16(10)13-15-11(5-2)12(8-14)17-13/h9-10H,4-8,14H2,1-3H3
InChIKeyWZUCGYUCVJDOJR-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.93
Rot. Bonds4

About [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 83221011) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID83221011
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCc1nc(N2C(C)CCC2CC)sc1CN
InChIInChI=1S/C13H23N3S/c1-4-10-7-6-9(3)16(10)13-15-11(5-2)12(8-14)17-13/h9-10H,4-8,14H2,1-3H3
InChIKeyWZUCGYUCVJDOJR-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83221331
[4-ethyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62765484
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457
[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
2-[(2R,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 167797542
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83221733
4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole
CID 83220770
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 83221810
[4-ethyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 113459578
N-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 83221890
[2-(2-ethylazepan-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510725
(2-cyclobutyl-4-ethyl-1,3-thiazol-5-yl)methanamine
CID 104840931

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 83221011) is [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCc1nc(N2C(C)CCC2CC)sc1CN.
What is the InChIKey of [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WZUCGYUCVJDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-4-10-7-6-9(3)16(10)13-15-11(5-2)12(8-14)17-13/h9-10H,4-8,14H2,1-3H3.
What are the key properties of [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 253.41 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 83221011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).