methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C14H14N2O3S2 — CID 134973922

IUPACmethyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCNc1cc(-c2cccs2)c2n(c1=O)[C@H](C(=O)OC)CS2
InChIInChI=1S/C14H14N2O3S2/c1-15-9-6-8(11-4-3-5-20-11)13-16(12(9)17)10(7-21-13)14(18)19-2/h3-6,10,15H,7H2,1-2H3/t10-/m0/s1
InChIKeyXRAUFWZSYHRJCJ-JTQLQIEISA-N
MW322.41 g/mol
LogP2.44
Rot. Bonds3

About methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 134973922) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
PubChem CID134973922
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Namemethyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCNc1cc(-c2cccs2)c2n(c1=O)[C@H](C(=O)OC)CS2
InChIInChI=1S/C14H14N2O3S2/c1-15-9-6-8(11-4-3-5-20-11)13-16(12(9)17)10(7-21-13)14(18)19-2/h3-6,10,15H,7H2,1-2H3/t10-/m0/s1
InChIKeyXRAUFWZSYHRJCJ-JTQLQIEISA-N
XLogP2.44
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

Methyl 2-[5-(2-thenylidene)-2,4-dioxotetrahydro-1,3-thiazol-3-yl]propionate
CID 4999554
methyl 2-{(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
CID 5737704
Methyl 2-{5-[(3-methyl-2-thienyl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
CID 5738032
methyl 2-[(5E)-2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate
CID 6244540
(Z)-methyl 2-(5-((5-methylthiophen-2-yl)methylene)-2,4-dioxothiazolidin-3-yl)propanoate
CID 6241286
methyl (3R)-7-heptyl-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 59741056
ethyl 2-[(4Z)-2-methylidene-5-oxo-4-(thiophen-2-ylmethylidene)imidazolidin-1-yl]acetate
CID 123728499
methyl (2S)-2-[(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 1304448
methyl (2S)-2-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 1304449
methyl (2R)-2-[(5E)-5-[(5-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 1304451
methyl (2R)-2-[(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 1304452
methyl (2S)-2-[(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 1309209

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The IUPAC name of methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 134973922) is methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The canonical SMILES for methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is CNc1cc(-c2cccs2)c2n(c1=O)[C@H](C(=O)OC)CS2.
What is the InChIKey of methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The InChIKey is XRAUFWZSYHRJCJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-15-9-6-8(11-4-3-5-20-11)13-16(12(9)17)10(7-21-13)14(18)19-2/h3-6,10,15H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-6-(methylamino)-5-oxo-8-thiophen-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 134973922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).