N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

C15H19N5O2S — CID 75462304

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCN(Cc3cscn3)CC2)ccc1=O
InChIInChI=1S/C15H19N5O2S/c1-18-8-12(2-3-14(18)21)17-15(22)20-6-4-19(5-7-20)9-13-10-23-11-16-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,22)
InChIKeyJOBXBUUTAUZHOJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.19
Rot. Bonds3

About N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 75462304) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
PubChem CID75462304
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCN(Cc3cscn3)CC2)ccc1=O
InChIInChI=1S/C15H19N5O2S/c1-18-8-12(2-3-14(18)21)17-15(22)20-6-4-19(5-7-20)9-13-10-23-11-16-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,22)
InChIKeyJOBXBUUTAUZHOJ-UHFFFAOYSA-N
XLogP1.19
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (CID 75462304) is N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is Cn1cc(NC(=O)N2CCN(Cc3cscn3)CC2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is JOBXBUUTAUZHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-18-8-12(2-3-14(18)21)17-15(22)20-6-4-19(5-7-20)9-13-10-23-11-16-13/h2-3,8,10-11H,4-7,9H2,1H3,(H,17,22).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75462304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).