N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C15H19N5O2S — CID 71992047

IUPACN-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(N2CCN(C(=O)Nc3cccn(C)c3=O)CC2)n1
InChIInChI=1S/C15H19N5O2S/c1-11-10-23-15(16-11)20-8-6-19(7-9-20)14(22)17-12-4-3-5-18(2)13(12)21/h3-5,10H,6-9H2,1-2H3,(H,17,22)
InChIKeyAKGPJXYUUIKIJY-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.50
Rot. Bonds2

About N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 71992047) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID71992047
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1csc(N2CCN(C(=O)Nc3cccn(C)c3=O)CC2)n1
InChIInChI=1S/C15H19N5O2S/c1-11-10-23-15(16-11)20-8-6-19(7-9-20)14(22)17-12-4-3-5-18(2)13(12)21/h3-5,10H,6-9H2,1-2H3,(H,17,22)
InChIKeyAKGPJXYUUIKIJY-UHFFFAOYSA-N
XLogP1.50
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 71992047) is N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1csc(N2CCN(C(=O)Nc3cccn(C)c3=O)CC2)n1.
What is the InChIKey of N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is AKGPJXYUUIKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-11-10-23-15(16-11)20-8-6-19(7-9-20)14(22)17-12-4-3-5-18(2)13(12)21/h3-5,10H,6-9H2,1-2H3,(H,17,22).
What are the key properties of N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71992047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).