N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C15H14N4O3S — CID 90508297

IUPACN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)c3ccc[nH]c3=O)csc2n1
InChIInChI=1S/C15H14N4O3S/c1-9-7-12(20)19-10(8-23-15(19)18-9)4-6-17-14(22)11-3-2-5-16-13(11)21/h2-3,5,7-8H,4,6H2,1H3,(H,16,21)(H,17,22)
InChIKeyAENPBWXZEUOWKS-UHFFFAOYSA-N
MW330.37 g/mol
LogP0.73
Rot. Bonds4

About N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90508297) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90508297
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)n2c(CCNC(=O)c3ccc[nH]c3=O)csc2n1
InChIInChI=1S/C15H14N4O3S/c1-9-7-12(20)19-10(8-23-15(19)18-9)4-6-17-14(22)11-3-2-5-16-13(11)21/h2-3,5,7-8H,4,6H2,1H3,(H,16,21)(H,17,22)
InChIKeyAENPBWXZEUOWKS-UHFFFAOYSA-N
XLogP0.73
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]acetamide
CID 90508334
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508336
4-methoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508372
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90508411
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-propylpentanamide
CID 90508343
2-chloro-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508361
3,4-dimethoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508378
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 90508287
4-butoxy-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]benzamide
CID 90508376
3-(4-methoxyphenyl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508473
3-(2,4-dioxopyrimidin-1-yl)-N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]propanamide
CID 90508318
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42575300

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 90508297) is N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)n2c(CCNC(=O)c3ccc[nH]c3=O)csc2n1.
What is the InChIKey of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AENPBWXZEUOWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-9-7-12(20)19-10(8-23-15(19)18-9)4-6-17-14(22)11-3-2-5-16-13(11)21/h2-3,5,7-8H,4,6H2,1H3,(H,16,21)(H,17,22).
What are the key properties of N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90508297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).