N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide

C21H16N4O2S — CID 13105946

IUPACN-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(/C=C/c4cccnc4)cc(=O)n23)cc1
InChIInChI=1S/C21H16N4O2S/c1-14(26)23-17-8-5-16(6-9-17)19-13-28-21-24-18(11-20(27)25(19)21)7-4-15-3-2-10-22-12-15/h2-13H,1H3,(H,23,26)/b7-4+
InChIKeyMNMLISAPFIGEPZ-QPJJXVBHSA-N
MW388.45 g/mol
LogP3.95
Rot. Bonds4

About N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide

N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide (PubChem CID 13105946) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide
PubChem CID13105946
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc3nc(/C=C/c4cccnc4)cc(=O)n23)cc1
InChIInChI=1S/C21H16N4O2S/c1-14(26)23-17-8-5-16(6-9-17)19-13-28-21-24-18(11-20(27)25(19)21)7-4-15-3-2-10-22-12-15/h2-13H,1H3,(H,23,26)/b7-4+
InChIKeyMNMLISAPFIGEPZ-QPJJXVBHSA-N
XLogP3.95
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide 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-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide (CID 13105946) is N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2csc3nc(/C=C/c4cccnc4)cc(=O)n23)cc1.
What is the InChIKey of N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide?
The InChIKey is MNMLISAPFIGEPZ-QPJJXVBHSA-N. The full InChI is InChI=1S/C21H16N4O2S/c1-14(26)23-17-8-5-16(6-9-17)19-13-28-21-24-18(11-20(27)25(19)21)7-4-15-3-2-10-22-12-15/h2-13H,1H3,(H,23,26)/b7-4+.
What are the key properties of N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide?
N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide has a molecular weight of 388.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide is sourced from PubChem (CID 13105946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).