(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide

C15H19N5OS — CID 124983217

IUPAC(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1nccs1
InChIInChI=1S/C15H19N5OS/c1-19(2)14(21)15(12-10-16-5-6-17-12)4-3-8-20(15)11-13-18-7-9-22-13/h5-7,9-10H,3-4,8,11H2,1-2H3/t15-/m0/s1
InChIKeyNCIGIOGPYUZJCI-HNNXBMFYSA-N
MW317.42 g/mol
LogP1.51
Rot. Bonds4

About (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 124983217) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID124983217
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1nccs1
InChIInChI=1S/C15H19N5OS/c1-19(2)14(21)15(12-10-16-5-6-17-12)4-3-8-20(15)11-13-18-7-9-22-13/h5-7,9-10H,3-4,8,11H2,1-2H3/t15-/m0/s1
InChIKeyNCIGIOGPYUZJCI-HNNXBMFYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 124986361
(2S)-N,N-dimethyl-1-[(6-methyl-3-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991235
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234
(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124963497
1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245716
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740294
(2R)-1-ethyl-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991793
2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
CID 102604390
(2R)-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125005876
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 124986602

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 124983217) is (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1nccs1.
What is the InChIKey of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is NCIGIOGPYUZJCI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-19(2)14(21)15(12-10-16-5-6-17-12)4-3-8-20(15)11-13-18-7-9-22-13/h5-7,9-10H,3-4,8,11H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 124983217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).