2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

C13H15N5OS — CID 102604390

IUPAC2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1cscn1
InChIInChI=1S/C13H15N5OS/c14-12(19)13(11-6-15-3-4-16-11)2-1-5-18(13)7-10-8-20-9-17-10/h3-4,6,8-9H,1-2,5,7H2,(H2,14,19)
InChIKeyQUQVMGGMGPABPK-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.91
Rot. Bonds4

About 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 102604390) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID102604390
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1cscn1
InChIInChI=1S/C13H15N5OS/c14-12(19)13(11-6-15-3-4-16-11)2-1-5-18(13)7-10-8-20-9-17-10/h3-4,6,8-9H,1-2,5,7H2,(H2,14,19)
InChIKeyQUQVMGGMGPABPK-UHFFFAOYSA-N
XLogP0.91
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124944335
1-[(2,4-dimethylphenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 118740294
1-(cyclohexylmethyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 110098709
(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125011653
2-pyrazin-2-yl-1-(2-thiophen-3-ylacetyl)pyrrolidine-2-carboxamide
CID 118740026
(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234
2-methyl-1-(1,3-thiazol-4-ylmethyl)piperidine-2-carboxylic acid
CID 104598838
(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125012324
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
(2R)-1-ethyl-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991793
[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 124986602
(2S)-1-(3-cyclopentylpropanoyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124947122

Frequently Asked Questions

What is the IUPAC name of 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (CID 102604390) is 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1Cc1cscn1.
What is the InChIKey of 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is QUQVMGGMGPABPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c14-12(19)13(11-6-15-3-4-16-11)2-1-5-18(13)7-10-8-20-9-17-10/h3-4,6,8-9H,1-2,5,7H2,(H2,14,19).
What are the key properties of 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazin-2-yl-1-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102604390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).