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

C15H27N3S — CID 83221331

IUPACN-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2C(C)CCC2CC)nc1CC
InChIInChI=1S/C15H27N3S/c1-5-12-9-8-11(4)18(12)15-17-13(6-2)14(19-15)10-16-7-3/h11-12,16H,5-10H2,1-4H3
InChIKeyTVCVSLVVIGRPFZ-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.58
Rot. Bonds6

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

N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 83221331) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID83221331
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2C(C)CCC2CC)nc1CC
InChIInChI=1S/C15H27N3S/c1-5-12-9-8-11(4)18(12)15-17-13(6-2)14(19-15)10-16-7-3/h11-12,16H,5-10H2,1-4H3
InChIKeyTVCVSLVVIGRPFZ-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 83221011
N-[[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114597327
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[4-ethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 63519927
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[2-(cyclopropylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841273
N-[[4-ethyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 102746236
2-[(2R,5S)-2-ethyl-5-methylpyrrolidin-1-yl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 167797542
N-[[4-propyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114540518
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 83221810
N-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 83221890
N-[[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 63619349

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 83221331) is N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2C(C)CCC2CC)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is TVCVSLVVIGRPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-12-9-8-11(4)18(12)15-17-13(6-2)14(19-15)10-16-7-3/h11-12,16H,5-10H2,1-4H3.
What are the key properties of N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 281.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 83221331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).