(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate

C17H13N3O3S — CID 4561051

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H13N3O3S/c21-15-8-12(19-17-20(15)5-6-24-17)10-23-16(22)7-11-9-18-14-4-2-1-3-13(11)14/h1-6,8-9,18H,7,10H2
InChIKeyJGOGBCYFWSQLAB-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.52
Rot. Bonds4

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate (PubChem CID 4561051) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate
PubChem CID4561051
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)OCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C17H13N3O3S/c21-15-8-12(19-17-20(15)5-6-24-17)10-23-16(22)7-11-9-18-14-4-2-1-3-13(11)14/h1-6,8-9,18H,7,10H2
InChIKeyJGOGBCYFWSQLAB-UHFFFAOYSA-N
XLogP2.52
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2467017
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl quinoline-2-carboxylate
CID 2653730
7-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42893368
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 8892468
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methylsulfanylbenzoate
CID 2641473
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 4009223
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(thiophene-2-carbonylamino)propanoate
CID 46812596
[2-[acetyl(ethyl)amino]-1,3-thiazol-4-yl]methyl 2-(1H-indol-3-yl)acetate
CID 31433005
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 3-bromobenzoate
CID 2653790
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 7632199
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 2-(1H-indol-3-yl)acetate
CID 16869748
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 46811947

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate (CID 4561051) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)OCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate?
The InChIKey is JGOGBCYFWSQLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-15-8-12(19-17-20(15)5-6-24-17)10-23-16(22)7-11-9-18-14-4-2-1-3-13(11)14/h1-6,8-9,18H,7,10H2.
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate has a molecular weight of 339.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 4561051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).