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

C24H23N5O2S — CID 95181975

IUPAC2-[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
SMILESCN(Cc1ccccc1)c1nc2ncn(CC(=O)N[C@H]3CCc4ccccc43)c(=O)c2s1
InChIInChI=1S/C24H23N5O2S/c1-28(13-16-7-3-2-4-8-16)24-27-22-21(32-24)23(31)29(15-25-22)14-20(30)26-19-12-11-17-9-5-6-10-18(17)19/h2-10,15,19H,11-14H2,1H3,(H,26,30)/t19-/m0/s1
InChIKeyAVTOMGSIWJAHEO-IBGZPJMESA-N
MW445.55 g/mol
LogP3.29
Rot. Bonds6

About 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

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 (PubChem CID 95181975) 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-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-[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
PubChem CID95181975
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-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCN(Cc1ccccc1)c1nc2ncn(CC(=O)N[C@H]3CCc4ccccc43)c(=O)c2s1
InChIInChI=1S/C24H23N5O2S/c1-28(13-16-7-3-2-4-8-16)24-27-22-21(32-24)23(31)29(15-25-22)14-20(30)26-19-12-11-17-9-5-6-10-18(17)19/h2-10,15,19H,11-14H2,1H3,(H,26,30)/t19-/m0/s1
InChIKeyAVTOMGSIWJAHEO-IBGZPJMESA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

1-[6-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide
CID 95092230
N-[(1S)-2,3-dihydro-1H-inden-1-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 92900192
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51363440
(3R)-1-[6-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-ethylpiperidine-3-carboxamide
CID 95182170
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 50926879
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51273612
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide
CID 51363462
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-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40846792
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 51981520
2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41215663
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 51642054

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-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(Cc1ccccc1)c1nc2ncn(CC(=O)N[C@H]3CCc4ccccc43)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-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is AVTOMGSIWJAHEO-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-28(13-16-7-3-2-4-8-16)24-27-22-21(32-24)23(31)29(15-25-22)14-20(30)26-19-12-11-17-9-5-6-10-18(17)19/h2-10,15,19H,11-14H2,1H3,(H,26,30)/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 445.55 g/mol, XLogP of 3.29, 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-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 95181975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).