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

C23H23N5O2S — CID 51363462

IUPAC2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(C)C(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1
InChIInChI=1S/C23H23N5O2S/c1-16-8-7-11-18(12-16)27(3)19(29)14-28-15-24-21-20(22(28)30)31-23(25-21)26(2)13-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeySFEIZDFAFHVDNO-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.46
Rot. Bonds6

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

2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide (PubChem CID 51363462) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide
PubChem CID51363462
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(N(C)C(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1
InChIInChI=1S/C23H23N5O2S/c1-16-8-7-11-18(12-16)27(3)19(29)14-28-15-24-21-20(22(28)30)31-23(25-21)26(2)13-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3
InChIKeySFEIZDFAFHVDNO-UHFFFAOYSA-N
XLogP3.46
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide (CID 51363462) is 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide is Cc1cccc(N(C)C(=O)Cn2cnc3nc(N(C)Cc4ccccc4)sc3c2=O)c1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide?
The InChIKey is SFEIZDFAFHVDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-16-8-7-11-18(12-16)27(3)19(29)14-28-15-24-21-20(22(28)30)31-23(25-21)26(2)13-17-9-5-4-6-10-17/h4-12,15H,13-14H2,1-3H3.
What are the key properties of 2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide?
2-[2-[benzyl(methyl)amino]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-methyl-N-(3-methylphenyl)acetamide has a molecular weight of 433.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 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-methyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 51363462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).