2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H28N4O3S — CID 86966455

IUPAC2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CN(C(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)CCN1CCOC
InChIInChI=1S/C23H28N4O3S/c1-3-18-15-26(10-9-25(18)11-12-30-2)21(28)20-14-24-23-27(22(20)29)16-19(31-23)13-17-7-5-4-6-8-17/h4-8,14,16,18H,3,9-13,15H2,1-2H3
InChIKeyYZVLMIYYHFMISE-UHFFFAOYSA-N
MW440.57 g/mol
LogP2.53
Rot. Bonds7

About 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 86966455) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID86966455
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCC1CN(C(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)CCN1CCOC
InChIInChI=1S/C23H28N4O3S/c1-3-18-15-26(10-9-25(18)11-12-30-2)21(28)20-14-24-23-27(22(20)29)16-19(31-23)13-17-7-5-4-6-8-17/h4-8,14,16,18H,3,9-13,15H2,1-2H3
InChIKeyYZVLMIYYHFMISE-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 86966455) is 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCC1CN(C(=O)c2cnc3sc(Cc4ccccc4)cn3c2=O)CCN1CCOC.
What is the InChIKey of 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YZVLMIYYHFMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-18-15-26(10-9-25(18)11-12-30-2)21(28)20-14-24-23-27(22(20)29)16-19(31-23)13-17-7-5-4-6-8-17/h4-8,14,16,18H,3,9-13,15H2,1-2H3.
What are the key properties of 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 440.57 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[3-ethyl-4-(2-methoxyethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 86966455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).