ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate

C19H22N4O3S — CID 69189291

IUPACethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCC(N3Cc4ccccc4NC3=O)CC2)n1
InChIInChI=1S/C19H22N4O3S/c1-2-26-17(24)16-12-27-19(21-16)22-9-7-14(8-10-22)23-11-13-5-3-4-6-15(13)20-18(23)25/h3-6,12,14H,2,7-11H2,1H3,(H,20,25)
InChIKeyNQPCWOCWSLEPRF-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.34
Rot. Bonds4

About ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 69189291) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID69189291
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Nameethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCC(N3Cc4ccccc4NC3=O)CC2)n1
InChIInChI=1S/C19H22N4O3S/c1-2-26-17(24)16-12-27-19(21-16)22-9-7-14(8-10-22)23-11-13-5-3-4-6-15(13)20-18(23)25/h3-6,12,14H,2,7-11H2,1H3,(H,20,25)
InChIKeyNQPCWOCWSLEPRF-UHFFFAOYSA-N
XLogP3.34
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 4-methyl-2-[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 69188762
ethyl 2-(4-methylpiperidin-1-yl)-1,3-thiazole-4-carboxylate
CID 112732132
ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
methyl 2-[4-[(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propanoyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 10440384
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
ethyl 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,3-thiazole-4-carboxylate
CID 80569082
ethyl 2-[4-(3-chloro-2-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate
CID 23633928
ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 90291460
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-4-carboxylate
CID 80569291
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
ethyl 2-(3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazole-4-carboxylate
CID 80567840
ethyl 2-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 102887594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate (CID 69189291) is ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCC(N3Cc4ccccc4NC3=O)CC2)n1.
What is the InChIKey of ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is NQPCWOCWSLEPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-2-26-17(24)16-12-27-19(21-16)22-9-7-14(8-10-22)23-11-13-5-3-4-6-15(13)20-18(23)25/h3-6,12,14H,2,7-11H2,1H3,(H,20,25).
What are the key properties of ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 386.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 69189291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).