ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

C16H24N4O3S — CID 21163777

IUPACethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCCCN(CCCC)c1nn2c(C(=O)OCC)cc(=O)nc2s1
InChIInChI=1S/C16H24N4O3S/c1-4-7-9-19(10-8-5-2)16-18-20-12(14(22)23-6-3)11-13(21)17-15(20)24-16/h11H,4-10H2,1-3H3
InChIKeyUCXJUSZMUHCFBM-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.73
Rot. Bonds9

About ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate

ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 21163777) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID21163777
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Nameethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCCCN(CCCC)c1nn2c(C(=O)OCC)cc(=O)nc2s1
InChIInChI=1S/C16H24N4O3S/c1-4-7-9-19(10-8-5-2)16-18-20-12(14(22)23-6-3)11-13(21)17-15(20)24-16/h11H,4-10H2,1-3H3
InChIKeyUCXJUSZMUHCFBM-UHFFFAOYSA-N
XLogP2.73
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate 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

ethyl 2-morpholino-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 12899658
ethyl 2-pyrrolidino-7H-1,3,4-thiadiazolo-[3,2-a]pyrimidin-7-one-5-carboxylate
CID 12899659
ethyl 2-piperidino-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 12899660
Ethyl 2-(azepan-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 12899671
Ethyl 7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 13466425
Butyl 2-(dimethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163765
Ethyl 7-oxo-2-thiomorpholin-4-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163766
Butyl 2-(2-butylpyrrolidin-1-yl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163767
Ethyl 7-oxo-2-(2,4,6-trimethylpiperidin-1-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163769
ethyl 2-[di-(n-propyl)amino]-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin-7-one-5-carboxylate
CID 21163772
ethyl 2-[di-(isopropyl)-amino]-7H-1,3,4-thiadiazolo-[3,2-a]-pyrimidin 7-one-5-carboxylate
CID 21163773
Ethyl 2-(diethylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate
CID 21163775

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate (CID 21163777) is ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is CCCCN(CCCC)c1nn2c(C(=O)OCC)cc(=O)nc2s1.
What is the InChIKey of ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is UCXJUSZMUHCFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-4-7-9-19(10-8-5-2)16-18-20-12(14(22)23-6-3)11-13(21)17-15(20)24-16/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate?
ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dibutylamino)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 21163777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).