(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide

C15H17N5O2S — CID 125006234

IUPAC(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cscn1
InChIInChI=1S/C15H17N5O2S/c1-19(2)14(22)15(12-8-16-5-6-17-12)4-3-7-20(15)13(21)11-9-23-10-18-11/h5-6,8-10H,3-4,7H2,1-2H3/t15-/m1/s1
InChIKeyUETCVSOFBUIKOB-OAHLLOKOSA-N
MW331.40 g/mol
LogP1.15
Rot. Bonds3

About (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide

(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 125006234) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID125006234
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cscn1
InChIInChI=1S/C15H17N5O2S/c1-19(2)14(22)15(12-8-16-5-6-17-12)4-3-7-20(15)13(21)11-9-23-10-18-11/h5-6,8-10H,3-4,7H2,1-2H3/t15-/m1/s1
InChIKeyUETCVSOFBUIKOB-OAHLLOKOSA-N
XLogP1.15
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide (CID 125006234) is (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide is CN(C)C(=O)[C@]1(c2cnccn2)CCCN1C(=O)c1cscn1.
What is the InChIKey of (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UETCVSOFBUIKOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-19(2)14(22)15(12-8-16-5-6-17-12)4-3-7-20(15)13(21)11-9-23-10-18-11/h5-6,8-10H,3-4,7H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide?
(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 125006234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).