N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride

C13H22ClN3O2S — CID 119551217

IUPACN,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CSC2(C)CCC(=O)N12)C1CCNC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-13-5-3-11(17)16(13)10(8-19-13)12(18)15(2)9-4-6-14-7-9;/h9-10,14H,3-8H2,1-2H3;1H
InChIKeyXWYZACSPPIAPNX-UHFFFAOYSA-N
MW319.86 g/mol
LogP0.68
Rot. Bonds2

About N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride

N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride (PubChem CID 119551217) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride
PubChem CID119551217
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC NameN,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride
SMILESCN(C(=O)C1CSC2(C)CCC(=O)N12)C1CCNC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-13-5-3-11(17)16(13)10(8-19-13)12(18)15(2)9-4-6-14-7-9;/h9-10,14H,3-8H2,1-2H3;1H
InChIKeyXWYZACSPPIAPNX-UHFFFAOYSA-N
XLogP0.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-methyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 174958940
N-methyl-N-[(3S)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 119011345
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
(3R,7aR)-7a-methyl-N-[[4-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 124733942
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
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CID 119550576
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CID 51968612
1-(3,5-dimethylphenyl)-N-methyl-2-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
The IUPAC name of N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride (CID 119551217) is N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
The canonical SMILES for N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride is CN(C(=O)C1CSC2(C)CCC(=O)N12)C1CCNC1.Cl.
What is the InChIKey of N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
The InChIKey is XWYZACSPPIAPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-13-5-3-11(17)16(13)10(8-19-13)12(18)15(2)9-4-6-14-7-9;/h9-10,14H,3-8H2,1-2H3;1H.
What are the key properties of N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride?
N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7a-dimethyl-5-oxo-N-pyrrolidin-3-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119551217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).