ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate

C14H18N4O3S2 — CID 101084273

IUPACethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc(C)c2sc(N3CCOCC3)nc2n1
InChIInChI=1S/C14H18N4O3S2/c1-3-21-10(19)8-22-13-15-9(2)11-12(16-13)17-14(23-11)18-4-6-20-7-5-18/h3-8H2,1-2H3
InChIKeyWDEJCRMBVGCJFI-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.89
Rot. Bonds5

About ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate

ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate (PubChem CID 101084273) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate
PubChem CID101084273
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Nameethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate
SMILESCCOC(=O)CSc1nc(C)c2sc(N3CCOCC3)nc2n1
InChIInChI=1S/C14H18N4O3S2/c1-3-21-10(19)8-22-13-15-9(2)11-12(16-13)17-14(23-11)18-4-6-20-7-5-18/h3-8H2,1-2H3
InChIKeyWDEJCRMBVGCJFI-UHFFFAOYSA-N
XLogP1.89
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate with MolForge

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Related Compounds

ethyl 2-[[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 39841695
ethyl 2-[[2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetyl]amino]acetate
CID 2957582
ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20895441
ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
CID 168654698
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
ethyl 4-[2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate
CID 42753898
ethyl 2-[[5-(2-ethoxy-2-oxoethyl)sulfanyl-1,2,4-thiadiazol-3-yl]sulfanyl]acetate
CID 23760788
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
CID 95920452
ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 134461219
N-benzyl-N-ethyl-2-[(2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide
CID 95920798
ethyl 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetate
CID 24705602
ethyl 2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetate
CID 142704975

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate?
The IUPAC name of ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate (CID 101084273) is ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate.
What is the SMILES notation for ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate?
The canonical SMILES for ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate is CCOC(=O)CSc1nc(C)c2sc(N3CCOCC3)nc2n1.
What is the InChIKey of ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate?
The InChIKey is WDEJCRMBVGCJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-3-21-10(19)8-22-13-15-9(2)11-12(16-13)17-14(23-11)18-4-6-20-7-5-18/h3-8H2,1-2H3.
What are the key properties of ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate?
ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate has a molecular weight of 354.46 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-methyl-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetate is sourced from PubChem (CID 101084273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).