ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

C13H14N2O2S2 — CID 135319600

IUPACethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(SC)sc2c1C1CC1
InChIInChI=1S/C13H14N2O2S2/c1-3-17-12(16)8-6-14-11-10(9(8)7-4-5-7)19-13(15-11)18-2/h6-7H,3-5H2,1-2H3
InChIKeyQKPVGYOGUFTVGW-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.47
Rot. Bonds4

About ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate

ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (PubChem CID 135319600) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
PubChem CID135319600
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Nameethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
SMILESCCOC(=O)c1cnc2nc(SC)sc2c1C1CC1
InChIInChI=1S/C13H14N2O2S2/c1-3-17-12(16)8-6-14-11-10(9(8)7-4-5-7)19-13(15-11)18-2/h6-7H,3-5H2,1-2H3
InChIKeyQKPVGYOGUFTVGW-UHFFFAOYSA-N
XLogP3.47
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate (CID 135319600) is ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is CCOC(=O)c1cnc2nc(SC)sc2c1C1CC1.
What is the InChIKey of ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
The InChIKey is QKPVGYOGUFTVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-3-17-12(16)8-6-14-11-10(9(8)7-4-5-7)19-13(15-11)18-2/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate?
ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-cyclopropyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate is sourced from PubChem (CID 135319600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).