2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide

C23H22N4O2S — CID 50841429

IUPAC2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1cnc2c(-c3ccccc3)nsc2c1=O
InChIInChI=1S/C23H22N4O2S/c1-16(12-13-17-8-4-2-5-9-17)25-19(28)14-27-15-24-21-20(18-10-6-3-7-11-18)26-30-22(21)23(27)29/h2-11,15-16H,12-14H2,1H3,(H,25,28)
InChIKeyFVIFVZSNCDLLQO-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.66
Rot. Bonds7

About 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 50841429) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID50841429
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1cnc2c(-c3ccccc3)nsc2c1=O
InChIInChI=1S/C23H22N4O2S/c1-16(12-13-17-8-4-2-5-9-17)25-19(28)14-27-15-24-21-20(18-10-6-3-7-11-18)26-30-22(21)23(27)29/h2-11,15-16H,12-14H2,1H3,(H,25,28)
InChIKeyFVIFVZSNCDLLQO-UHFFFAOYSA-N
XLogP3.66
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841575
N-[(2S)-butan-2-yl]-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 92899084
N-(2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841644
N-(4-acetylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 46396597
N-(3-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841692
2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25347809
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841673
N-(5-chloro-2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841671
2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7885862
N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841617
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 4809075

Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 50841429) is 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1cnc2c(-c3ccccc3)nsc2c1=O.
What is the InChIKey of 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is FVIFVZSNCDLLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-16(12-13-17-8-4-2-5-9-17)25-19(28)14-27-15-24-21-20(18-10-6-3-7-11-18)26-30-22(21)23(27)29/h2-11,15-16H,12-14H2,1H3,(H,25,28).
What are the key properties of 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 418.52 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 50841429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).