11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

C17H20N4O4S2 — CID 7681510

IUPAC11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESCOCCn1c(SCC(=O)N2CCNC2=O)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C17H20N4O4S2/c1-25-8-7-21-15(23)13-10-3-2-4-11(10)27-14(13)19-17(21)26-9-12(22)20-6-5-18-16(20)24/h2-9H2,1H3,(H,18,24)
InChIKeyUEZHBHGLYZSLQN-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.24
Rot. Bonds6

About 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (PubChem CID 7681510) has the molecular formula C17H20N4O4S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.

Molecular Properties

Compound Name11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
PubChem CID7681510
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC Name11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESCOCCn1c(SCC(=O)N2CCNC2=O)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C17H20N4O4S2/c1-25-8-7-21-15(23)13-10-3-2-4-11(10)27-14(13)19-17(21)26-9-12(22)20-6-5-18-16(20)24/h2-9H2,1H3,(H,18,24)
InChIKeyUEZHBHGLYZSLQN-UHFFFAOYSA-N
XLogP1.24
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one with MolForge

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

Launch Full Analysis

Related Compounds

11-(3-methoxypropyl)-10-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 3170046
N-ethyl-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2706234
2-(2-chloroprop-2-enylsulfanyl)-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 112773788
N-cyclopentyl-2-[[11-(2-methoxyethyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide
CID 7681567
3-(2-methoxyethyl)-2-phenacylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2706229
3-(furan-2-ylmethyl)-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 17422349
N-[(2R)-butan-2-yl]-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2706232
N-[(4-fluorophenyl)methyl]-2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2577343
2-[[3-(2-methoxyethyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 2666046
methyl 4-[[2-[[11-(2-methoxyethyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetyl]amino]benzoate
CID 3173162
2-[[11-(2-methoxyethyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 3173129
N-cyclopropyl-2-[[11-(3-methoxypropyl)-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl]acetamide
CID 2637182

Frequently Asked Questions

What is the IUPAC name of 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The IUPAC name of 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CID 7681510) is 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
What is the SMILES notation for 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The canonical SMILES for 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is COCCn1c(SCC(=O)N2CCNC2=O)nc2sc3c(c2c1=O)CCC3.
What is the InChIKey of 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The InChIKey is UEZHBHGLYZSLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S2/c1-25-8-7-21-15(23)13-10-3-2-4-11(10)27-14(13)19-17(21)26-9-12(22)20-6-5-18-16(20)24/h2-9H2,1H3,(H,18,24).
What are the key properties of 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one has a molecular weight of 408.51 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methoxyethyl)-10-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is sourced from PubChem (CID 7681510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).