N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide

C13H15N5OS — CID 110271502

IUPACN-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide
SMILESCc1csc(NC(=O)c2cnc(C3CCCN3)cn2)n1
InChIInChI=1S/C13H15N5OS/c1-8-7-20-13(17-8)18-12(19)11-6-15-10(5-16-11)9-3-2-4-14-9/h5-7,9,14H,2-4H2,1H3,(H,17,18,19)
InChIKeyOUZYSYQKAFEZSF-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.92
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide (PubChem CID 110271502) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide
PubChem CID110271502
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide
SMILESCc1csc(NC(=O)c2cnc(C3CCCN3)cn2)n1
InChIInChI=1S/C13H15N5OS/c1-8-7-20-13(17-8)18-12(19)11-6-15-10(5-16-11)9-3-2-4-14-9/h5-7,9,14H,2-4H2,1H3,(H,17,18,19)
InChIKeyOUZYSYQKAFEZSF-UHFFFAOYSA-N
XLogP1.92
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide (CID 110271502) is N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide is Cc1csc(NC(=O)c2cnc(C3CCCN3)cn2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide?
The InChIKey is OUZYSYQKAFEZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8-7-20-13(17-8)18-12(19)11-6-15-10(5-16-11)9-3-2-4-14-9/h5-7,9,14H,2-4H2,1H3,(H,17,18,19).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-5-pyrrolidin-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 110271502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).