5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

C14H17N5OS — CID 90619538

IUPAC5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCCN2c2nccs2)cn1
InChIInChI=1S/C14H17N5OS/c1-10-7-17-12(9-16-10)13(20)18-8-11-3-2-5-19(11)14-15-4-6-21-14/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,18,20)
InChIKeyCHDCADWWEPRYJI-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.64
Rot. Bonds4

About 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide

5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 90619538) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID90619538
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCCN2c2nccs2)cn1
InChIInChI=1S/C14H17N5OS/c1-10-7-17-12(9-16-10)13(20)18-8-11-3-2-5-19(11)14-15-4-6-21-14/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,18,20)
InChIKeyCHDCADWWEPRYJI-UHFFFAOYSA-N
XLogP1.64
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide (CID 90619538) is 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCC2CCCN2c2nccs2)cn1.
What is the InChIKey of 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is CHDCADWWEPRYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-7-17-12(9-16-10)13(20)18-8-11-3-2-5-19(11)14-15-4-6-21-14/h4,6-7,9,11H,2-3,5,8H2,1H3,(H,18,20).
What are the key properties of 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide?
5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 90619538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).