2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C24H23N5O2S — CID 51363470

IUPAC2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2s1
InChIInChI=1S/C24H23N5O2S/c1-28(13-16-6-3-2-4-7-16)24-27-22-21(32-24)23(31)29(15-25-22)14-20(30)26-19-11-10-17-8-5-9-18(17)12-19/h2-4,6-7,10-12,15H,5,8-9,13-14H2,1H3,(H,26,30)
InChIKeyNLIPQPHZUJUTGX-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.62
Rot. Bonds6

About 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 51363470) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID51363470
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2s1
InChIInChI=1S/C24H23N5O2S/c1-28(13-16-6-3-2-4-7-16)24-27-22-21(32-24)23(31)29(15-25-22)14-20(30)26-19-11-10-17-8-5-9-18(17)12-19/h2-4,6-7,10-12,15H,5,8-9,13-14H2,1H3,(H,26,30)
InChIKeyNLIPQPHZUJUTGX-UHFFFAOYSA-N
XLogP3.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51363440
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 95181975
N-(2,3-dihydro-1H-inden-5-yl)-2-[11-(dimethylamino)-5-oxo-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,10-tetraen-4-yl]acetamide
CID 50845197
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 50926861
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 50926879
1-[6-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
CID 46391188
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide
CID 51363462
(3S)-N-cyclopropyl-1-[6-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-3-carboxamide
CID 92883964
2-[benzyl(methyl)amino]-6-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 50926860
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8891969
2-[2-[(3R)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 95182084
2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-phenylacetamide
CID 95182085

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 51363470) is 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is CN(Cc1ccccc1)c1nc2ncn(CC(=O)Nc3ccc4c(c3)CCC4)c(=O)c2s1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is NLIPQPHZUJUTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-28(13-16-6-3-2-4-7-16)24-27-22-21(32-24)23(31)29(15-25-22)14-20(30)26-19-11-10-17-8-5-9-18(17)12-19/h2-4,6-7,10-12,15H,5,8-9,13-14H2,1H3,(H,26,30).
What are the key properties of 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 445.55 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 51363470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).