(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C17H21N3O2S — CID 124546926

IUPAC(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@H]1CCCN1c1nccs1
InChIInChI=1S/C17H21N3O2S/c1-2-22-15-8-4-3-6-13(15)12-19-16(21)14-7-5-10-20(14)17-18-9-11-23-17/h3-4,6,8-9,11,14H,2,5,7,10,12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMSHKCDMZZSVNHN-CQSZACIVSA-N
MW331.44 g/mol
LogP2.83
Rot. Bonds6

About (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 124546926) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID124546926
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1CNC(=O)[C@H]1CCCN1c1nccs1
InChIInChI=1S/C17H21N3O2S/c1-2-22-15-8-4-3-6-13(15)12-19-16(21)14-7-5-10-20(14)17-18-9-11-23-17/h3-4,6,8-9,11,14H,2,5,7,10,12H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyMSHKCDMZZSVNHN-CQSZACIVSA-N
XLogP2.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 97019874
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 112822019
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95761691
N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 138044085
N-[(4-ethoxy-3-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 71982018
N-[3-(2-oxo-1,3-diazinan-1-yl)propyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 166281664
N-(2-ethylphenyl)-2-[4-[1-(1,3-thiazol-2-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 112822036
(2R)-N-[methyl(propyl)sulfamoyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 124570759
(2S)-N-(5-methyl-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 51936972
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
N-benzyl-1-(7-ethoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 135319476
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylate
CID 75512058

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 124546926) is (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCOc1ccccc1CNC(=O)[C@H]1CCCN1c1nccs1.
What is the InChIKey of (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is MSHKCDMZZSVNHN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-22-15-8-4-3-6-13(15)12-19-16(21)14-7-5-10-20(14)17-18-9-11-23-17/h3-4,6,8-9,11,14H,2,5,7,10,12H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-ethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124546926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).