(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide

C17H21N5O2S — CID 126443740

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C17H21N5O2S/c1-11-15(12(2)24-20-11)14-4-3-7-22(14)16(23)18-6-5-13-10-21-8-9-25-17(21)19-13/h8-10,14H,3-7H2,1-2H3,(H,18,23)/t14-/m1/s1
InChIKeyXLWNLDUFEHWZGZ-CQSZACIVSA-N
MW359.46 g/mol
LogP3.09
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 126443740) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide
PubChem CID126443740
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)NCCc1cn2ccsc2n1
InChIInChI=1S/C17H21N5O2S/c1-11-15(12(2)24-20-11)14-4-3-7-22(14)16(23)18-6-5-13-10-21-8-9-25-17(21)19-13/h8-10,14H,3-7H2,1-2H3,(H,18,23)/t14-/m1/s1
InChIKeyXLWNLDUFEHWZGZ-CQSZACIVSA-N
XLogP3.09
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpyrrolidine-1-carboxamide
CID 95052097
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide
CID 55585660
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 50808693
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
CID 110661644
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
5-[[[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 126423001
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96572309
(2S)-N-(2-bromophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894253
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894227
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 110661566
(2S)-2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 125446707

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide (CID 126443740) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide is Cc1noc(C)c1[C@H]1CCCN1C(=O)NCCc1cn2ccsc2n1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is XLWNLDUFEHWZGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-15(12(2)24-20-11)14-4-3-7-22(14)16(23)18-6-5-13-10-21-8-9-25-17(21)19-13/h8-10,14H,3-7H2,1-2H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126443740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).