2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H27N3O2S — CID 49372484

IUPAC2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC(c2ccccc2OC)N2CCCC2)s1
InChIInChI=1S/C20H27N3O2S/c1-4-18-22-14(2)19(26-18)20(24)21-13-16(23-11-7-8-12-23)15-9-5-6-10-17(15)25-3/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyALGAZTRSWDMBCC-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.59
Rot. Bonds7

About 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 49372484) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID49372484
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC(c2ccccc2OC)N2CCCC2)s1
InChIInChI=1S/C20H27N3O2S/c1-4-18-22-14(2)19(26-18)20(24)21-13-16(23-11-7-8-12-23)15-9-5-6-10-17(15)25-3/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,21,24)
InChIKeyALGAZTRSWDMBCC-UHFFFAOYSA-N
XLogP3.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methylthiophene-2-carboxamide
CID 51164557
2-ethyl-4-methyl-N-(2-piperidin-1-yl-2-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 74246411
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111775032
5-(2,2-dimethylpropanoylamino)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methylthiophene-2-carboxamide
CID 55522094
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111775030
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-ethyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111775031
2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 49372484) is 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCC(c2ccccc2OC)N2CCCC2)s1.
What is the InChIKey of 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ALGAZTRSWDMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-18-22-14(2)19(26-18)20(24)21-13-16(23-11-7-8-12-23)15-9-5-6-10-17(15)25-3/h5-6,9-10,16H,4,7-8,11-13H2,1-3H3,(H,21,24).
What are the key properties of 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49372484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).