2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C14H24ClN3O2S — CID 119532672

IUPAC2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)Cn1c(C)c(C)sc1=O)C1CCNC1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-4-7-16(12-5-6-15-8-12)13(18)9-17-10(2)11(3)20-14(17)19;/h12,15H,4-9H2,1-3H3;1H
InChIKeyPPJIJBBHLNPBGI-UHFFFAOYSA-N
MW333.89 g/mol
LogP1.55
Rot. Bonds5

About 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119532672) has the molecular formula C14H24ClN3O2S and a molecular weight of 333.89 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119532672
Molecular FormulaC14H24ClN3O2S
Molecular Weight333.89 g/mol
Exact Mass333.13
IUPAC Name2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)Cn1c(C)c(C)sc1=O)C1CCNC1.Cl
InChIInChI=1S/C14H23N3O2S.ClH/c1-4-7-16(12-5-6-15-8-12)13(18)9-17-10(2)11(3)20-14(17)19;/h12,15H,4-9H2,1-3H3;1H
InChIKeyPPJIJBBHLNPBGI-UHFFFAOYSA-N
XLogP1.55
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.89
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530519
2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530186
2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531180
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119529913
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119826446
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
2-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119533138
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
(2R)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119530472
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532166

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119532672) is 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CCCN(C(=O)Cn1c(C)c(C)sc1=O)C1CCNC1.Cl.
What is the InChIKey of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is PPJIJBBHLNPBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S.ClH/c1-4-7-16(12-5-6-15-8-12)13(18)9-17-10(2)11(3)20-14(17)19;/h12,15H,4-9H2,1-3H3;1H.
What are the key properties of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 333.89 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119532672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).