(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate

C16H15N3O3S — CID 2659427

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-18(2)13-5-3-11(4-6-13)15(21)22-10-12-9-14(20)19-7-8-23-16(19)17-12/h3-9H,10H2,1-2H3
InChIKeyFDLAWBLXPRQMCJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.18
Rot. Bonds4

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate (PubChem CID 2659427) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate
PubChem CID2659427
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C16H15N3O3S/c1-18(2)13-5-3-11(4-6-13)15(21)22-10-12-9-14(20)19-7-8-23-16(19)17-12/h3-9H,10H2,1-2H3
InChIKeyFDLAWBLXPRQMCJ-UHFFFAOYSA-N
XLogP2.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-{[(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]amino}benzoate
CID 3780273
methyl 4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 135408406
Ethyl 4-(6-oxo-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-3-yl)benzoate
CID 1922396
4-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
CID 135408405
Ethyl 4-[[2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2155112
Benzoic acid, 4-(((methylphenylamino)methylene)amino)-, ethyl ester
CID 93817
Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate
CID 324933
3-Cyclopropyl-2-[(E)-4-ethoxycarbonyl-phenylimino]-4-oxo-3,4-dihydro-2H-[1,3]thiazine-6-carboxylic acid methyl ester
CID 651436
methyl (2Z)-2-{[4-(ethoxycarbonyl)phenyl]imino}-3-(3-morpholin-4-ylpropyl)-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
CID 1518866
Ethyl 4-{3-[(5-ethyl-4,6-dihydroxypyrimidin-2-yl)sulfanyl]-2,5-dioxopyrrolidin-1-yl}benzoate
CID 2979308
butyl 4-(5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamido)benzoate
CID 3240190
Ethyl 4-[[2-[(3-ethyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate
CID 3373842

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate (CID 2659427) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate?
The InChIKey is FDLAWBLXPRQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-18(2)13-5-3-11(4-6-13)15(21)22-10-12-9-14(20)19-7-8-23-16(19)17-12/h3-9H,10H2,1-2H3.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate has a molecular weight of 329.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(dimethylamino)benzoate is sourced from PubChem (CID 2659427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).