ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C16H18N4O4S2 — CID 16868173

IUPACethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CC2CSc3ncc(C)c(=O)n32)n1
InChIInChI=1S/C16H18N4O4S2/c1-3-24-13(22)4-10-7-25-15(18-10)19-12(21)5-11-8-26-16-17-6-9(2)14(23)20(11)16/h6-7,11H,3-5,8H2,1-2H3,(H,18,19,21)
InChIKeyCLOBBNNSBBNIDE-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.79
Rot. Bonds6

About ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 16868173) has the molecular formula C16H18N4O4S2 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID16868173
Molecular FormulaC16H18N4O4S2
Molecular Weight394.48 g/mol
Exact Mass394.08
IUPAC Nameethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CC2CSc3ncc(C)c(=O)n32)n1
InChIInChI=1S/C16H18N4O4S2/c1-3-24-13(22)4-10-7-25-15(18-10)19-12(21)5-11-8-26-16-17-6-9(2)14(23)20(11)16/h6-7,11H,3-5,8H2,1-2H3,(H,18,19,21)
InChIKeyCLOBBNNSBBNIDE-UHFFFAOYSA-N
XLogP1.79
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 16868173) is ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CC2CSc3ncc(C)c(=O)n32)n1.
What is the InChIKey of ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is CLOBBNNSBBNIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S2/c1-3-24-13(22)4-10-7-25-15(18-10)19-12(21)5-11-8-26-16-17-6-9(2)14(23)20(11)16/h6-7,11H,3-5,8H2,1-2H3,(H,18,19,21).
What are the key properties of ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 394.48 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16868173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).