ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate

C23H31N5O4S — CID 46378800

IUPACethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(c3nn4c(=O)c5c(nc4s3)CCCC5)CC2)C1
InChIInChI=1S/C23H31N5O4S/c1-2-32-21(31)16-6-5-11-27(14-16)19(29)15-9-12-26(13-10-15)23-25-28-20(30)17-7-3-4-8-18(17)24-22(28)33-23/h15-16H,2-14H2,1H3
InChIKeyVBDXKMKGDGAJOC-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.05
Rot. Bonds4

About ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate (PubChem CID 46378800) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate
PubChem CID46378800
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Nameethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C2CCN(c3nn4c(=O)c5c(nc4s3)CCCC5)CC2)C1
InChIInChI=1S/C23H31N5O4S/c1-2-32-21(31)16-6-5-11-27(14-16)19(29)15-9-12-26(13-10-15)23-25-28-20(30)17-7-3-4-8-18(17)24-22(28)33-23/h15-16H,2-14H2,1H3
InChIKeyVBDXKMKGDGAJOC-UHFFFAOYSA-N
XLogP2.05
TPSA97.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[2-(azepan-1-yl)ethyl]-1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
CID 92503905
ethyl (3S)-1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperidine-3-carboxylate
CID 133472617
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
ethyl (3R)-1-[(3S)-7-ethyl-8-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
CID 97105567
1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 46378713
ethyl 1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55363206
ethyl (3R)-1-[1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-3-carboxylate
CID 92715750
3-(3-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549686
ethyl 1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 43424047
ethyl (3S)-1-(5-oxopyrrolidine-2-carbonyl)piperidine-3-carboxylate
CID 81345446
ethyl (3R)-1-[(3S)-7-methyl-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carbonyl]piperidine-3-carboxylate
CID 97041245
ethyl 1-(4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carbonyl)piperidine-3-carboxylate
CID 22520784

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate (CID 46378800) is ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C2CCN(c3nn4c(=O)c5c(nc4s3)CCCC5)CC2)C1.
What is the InChIKey of ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate?
The InChIKey is VBDXKMKGDGAJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-2-32-21(31)16-6-5-11-27(14-16)19(29)15-9-12-26(13-10-15)23-25-28-20(30)17-7-3-4-8-18(17)24-22(28)33-23/h15-16H,2-14H2,1H3.
What are the key properties of ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate has a molecular weight of 473.60 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(5-oxo-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 46378800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).