propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

C16H14N2O3S — CID 54545406

IUPACpropyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCCOC(=O)c1cc(=O)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C16H14N2O3S/c1-2-8-21-15(20)12-9-14(19)17-16-18(12)13(10-22-16)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyZGEOIGCBHGDRDQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.99
Rot. Bonds4

About propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate

propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (PubChem CID 54545406) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
PubChem CID54545406
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Namepropyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
SMILESCCCOC(=O)c1cc(=O)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C16H14N2O3S/c1-2-8-21-15(20)12-9-14(19)17-16-18(12)13(10-22-16)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyZGEOIGCBHGDRDQ-UHFFFAOYSA-N
XLogP2.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-7-oxo-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate
CID 54109387
7-hydroxy-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135542318
6-ethyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82372908
methyl 5-chloro-3-phenylimidazo[2,1-b][1,3]thiazole-6-carboxylate
CID 165492506
3-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one bromide
CID 21177480
6-(2-hydroxyethyl)-7-methyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 155809201
3-phenyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 3569212
5-diethoxyphosphoryl-3,6-diphenylimidazo[2,1-b][1,3]thiazole
CID 132516192
3,6-diphenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068552
dipropyl 2,5-diphenylfuran-3,4-dicarboxylate
CID 141186958
5-oxo-N-[(2S)-pentan-2-yl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51564211
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466

Frequently Asked Questions

What is the IUPAC name of propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The IUPAC name of propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate (CID 54545406) is propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate.
What is the SMILES notation for propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The canonical SMILES for propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is CCCOC(=O)c1cc(=O)nc2scc(-c3ccccc3)n12.
What is the InChIKey of propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
The InChIKey is ZGEOIGCBHGDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-2-8-21-15(20)12-9-14(19)17-16-18(12)13(10-22-16)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3.
What are the key properties of propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate?
propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 54545406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).