(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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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).