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

C19H20N4O2S — CID 50841573

IUPACN-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
SMILESCc1ccc(-c2nsc3c(=O)n(CC(=O)NC4CCCC4)cnc23)cc1
InChIInChI=1S/C19H20N4O2S/c1-12-6-8-13(9-7-12)16-17-18(26-22-16)19(25)23(11-20-17)10-15(24)21-14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H,21,24)
InChIKeyDGZWBRWVAWYDIN-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.89
Rot. Bonds4

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

N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide (PubChem CID 50841573) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
PubChem CID50841573
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC NameN-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
SMILESCc1ccc(-c2nsc3c(=O)n(CC(=O)NC4CCCC4)cnc23)cc1
InChIInChI=1S/C19H20N4O2S/c1-12-6-8-13(9-7-12)16-17-18(26-22-16)19(25)23(11-20-17)10-15(24)21-14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H,21,24)
InChIKeyDGZWBRWVAWYDIN-UHFFFAOYSA-N
XLogP2.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498399
N-(2,6-dimethylphenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841673
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841598
N-cyclohexyl-2-[[3-(4-methylphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 1453078
N-(3-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841674
2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46396599
N-cycloheptyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7875432
2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 50841577
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841527
N-(2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841644
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide (CID 50841573) is N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide is Cc1ccc(-c2nsc3c(=O)n(CC(=O)NC4CCCC4)cnc23)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
The InChIKey is DGZWBRWVAWYDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12-6-8-13(9-7-12)16-17-18(26-22-16)19(25)23(11-20-17)10-15(24)21-14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide?
N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 50841573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).