N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

C23H28ClN5O3S — CID 46391066

IUPACN-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
SMILESCCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
InChIInChI=1S/C23H28ClN5O3S/c1-4-9-28-21(31)19-20(26-22(33-19)27-10-7-14(2)8-11-27)29(23(28)32)13-18(30)25-17-12-16(24)6-5-15(17)3/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,25,30)
InChIKeyIBRKEFHXDAYDPU-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.87
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide (PubChem CID 46391066) has the molecular formula C23H28ClN5O3S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
PubChem CID46391066
Molecular FormulaC23H28ClN5O3S
Molecular Weight490.03 g/mol
Exact Mass489.16
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
SMILESCCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O
InChIInChI=1S/C23H28ClN5O3S/c1-4-9-28-21(31)19-20(26-22(33-19)27-10-7-14(2)8-11-27)29(23(28)32)13-18(30)25-17-12-16(24)6-5-15(17)3/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,25,30)
InChIKeyIBRKEFHXDAYDPU-UHFFFAOYSA-N
XLogP3.87
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide with MolForge

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Related Compounds

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-(2,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833476
N-(2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 50833061
N-(3-chloro-4-fluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833155
N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 46390994
N-(3-chloro-4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 50833143
2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 46391047
N-(3,4-difluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 46391119
N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833077
N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 46390954
methyl 4-[[2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetyl]amino]benzoate
CID 50833686

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide (CID 46391066) is N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide is CCCn1c(=O)c2sc(N3CCC(C)CC3)nc2n(CC(=O)Nc2cc(Cl)ccc2C)c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
The InChIKey is IBRKEFHXDAYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3S/c1-4-9-28-21(31)19-20(26-22(33-19)27-10-7-14(2)8-11-27)29(23(28)32)13-18(30)25-17-12-16(24)6-5-15(17)3/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,25,30).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide?
N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide has a molecular weight of 490.03 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 46391066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).