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

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Related Compounds

3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13105911
2-(4-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188235
7-amino-3-pyridin-3-yl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 139236707
1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
CID 13232092
2-(4-nitrophenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188238
2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54203423
2-(2-aminophenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54271130
(E)-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 51092375
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
CID 135725522
N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
CID 622324
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
CID 108729163

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).