2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C18H23N5O3S — CID 121119795

IUPAC2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CCNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)cn1
InChIInChI=1S/C18H23N5O3S/c1-4-13-7-16(25)22(10-20-13)6-5-19-15(24)8-14-9-27-18-21-12(3)11(2)17(26)23(14)18/h7,10,14H,4-6,8-9H2,1-3H3,(H,19,24)
InChIKeyHZPBHWJKDYDDIZ-UHFFFAOYSA-N
MW389.48 g/mol
LogP0.83
Rot. Bonds6

About 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121119795) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121119795
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCCc1cc(=O)n(CCNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)cn1
InChIInChI=1S/C18H23N5O3S/c1-4-13-7-16(25)22(10-20-13)6-5-19-15(24)8-14-9-27-18-21-12(3)11(2)17(26)23(14)18/h7,10,14H,4-6,8-9H2,1-3H3,(H,19,24)
InChIKeyHZPBHWJKDYDDIZ-UHFFFAOYSA-N
XLogP0.83
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121119795) is 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is CCc1cc(=O)n(CCNC(=O)CC2CSc3nc(C)c(C)c(=O)n32)cn1.
What is the InChIKey of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is HZPBHWJKDYDDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-4-13-7-16(25)22(10-20-13)6-5-19-15(24)8-14-9-27-18-21-12(3)11(2)17(26)23(14)18/h7,10,14H,4-6,8-9H2,1-3H3,(H,19,24).
What are the key properties of 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121119795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).