N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

C24H31N5O4S — CID 50833105

IUPACN-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)n(C(C)C)c(=O)c3sc(N4CCC(C)CC4)nc32)cc1
InChIInChI=1S/C24H31N5O4S/c1-15(2)29-22(31)20-21(26-23(34-20)27-11-9-16(3)10-12-27)28(24(29)32)14-19(30)25-13-17-5-7-18(33-4)8-6-17/h5-8,15-16H,9-14H2,1-4H3,(H,25,30)
InChIKeyUKUBRAHLIKHQFX-UHFFFAOYSA-N
MW485.61 g/mol
LogP2.76
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide (PubChem CID 50833105) has the molecular formula C24H31N5O4S and a molecular weight of 485.61 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
PubChem CID50833105
Molecular FormulaC24H31N5O4S
Molecular Weight485.61 g/mol
Exact Mass485.21
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)n(C(C)C)c(=O)c3sc(N4CCC(C)CC4)nc32)cc1
InChIInChI=1S/C24H31N5O4S/c1-15(2)29-22(31)20-21(26-23(34-20)27-11-9-16(3)10-12-27)28(24(29)32)14-19(30)25-13-17-5-7-18(33-4)8-6-17/h5-8,15-16H,9-14H2,1-4H3,(H,25,30)
InChIKeyUKUBRAHLIKHQFX-UHFFFAOYSA-N
XLogP2.76
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 50833718
2-(5,7-dioxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 50833615
2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 50833609
2-[6-(2,3-dimethylphenyl)-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95920560
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
N-[(4-chlorophenyl)methyl]-2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxopteridin-1-yl]acetamide
CID 53062872
2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46391070
N-(3,5-difluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 50833767
N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
2-(3-benzyl-7-cyclopentyl-2,6-dioxopurin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 5030904
1-[(4-methoxyphenyl)methyl]-3,7-dimethyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione
CID 3816623
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide (CID 50833105) is N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide is COc1ccc(CNC(=O)Cn2c(=O)n(C(C)C)c(=O)c3sc(N4CCC(C)CC4)nc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The InChIKey is UKUBRAHLIKHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4S/c1-15(2)29-22(31)20-21(26-23(34-20)27-11-9-16(3)10-12-27)28(24(29)32)14-19(30)25-13-17-5-7-18(33-4)8-6-17/h5-8,15-16H,9-14H2,1-4H3,(H,25,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide has a molecular weight of 485.61 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 50833105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).