N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide

C14H17N5O2S — CID 128967028

IUPACN-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc(N2CCCC(NC(=O)c3cscn3)C2)c1=O
InChIInChI=1S/C14H17N5O2S/c1-18-6-4-15-12(14(18)21)19-5-2-3-10(7-19)17-13(20)11-8-22-9-16-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,17,20)
InChIKeyINRZMQSPHLXBLW-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.64
Rot. Bonds3

About N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide

N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 128967028) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID128967028
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc(N2CCCC(NC(=O)c3cscn3)C2)c1=O
InChIInChI=1S/C14H17N5O2S/c1-18-6-4-15-12(14(18)21)19-5-2-3-10(7-19)17-13(20)11-8-22-9-16-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,17,20)
InChIKeyINRZMQSPHLXBLW-UHFFFAOYSA-N
XLogP0.64
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide (CID 128967028) is N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide is Cn1ccnc(N2CCCC(NC(=O)c3cscn3)C2)c1=O.
What is the InChIKey of N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is INRZMQSPHLXBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-18-6-4-15-12(14(18)21)19-5-2-3-10(7-19)17-13(20)11-8-22-9-16-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,17,20).
What are the key properties of N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide?
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 128967028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).