7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide

C12H15N3O2S2 — CID 135319532

IUPAC7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(C(=O)N(C)OC)cnc2nc(SC)sc12
InChIInChI=1S/C12H15N3O2S2/c1-5-7-8(11(16)15(2)17-3)6-13-10-9(7)19-12(14-10)18-4/h6H,5H2,1-4H3
InChIKeyMMDRBADNZJLRNF-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.61
Rot. Bonds4

About 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide

7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 135319532) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
PubChem CID135319532
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
SMILESCCc1c(C(=O)N(C)OC)cnc2nc(SC)sc12
InChIInChI=1S/C12H15N3O2S2/c1-5-7-8(11(16)15(2)17-3)6-13-10-9(7)19-12(14-10)18-4/h6H,5H2,1-4H3
InChIKeyMMDRBADNZJLRNF-UHFFFAOYSA-N
XLogP2.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide (CID 135319532) is 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide is CCc1c(C(=O)N(C)OC)cnc2nc(SC)sc12.
What is the InChIKey of 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MMDRBADNZJLRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-5-7-8(11(16)15(2)17-3)6-13-10-9(7)19-12(14-10)18-4/h6H,5H2,1-4H3.
What are the key properties of 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 297.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-methoxy-N-methyl-2-methylsulfanyl-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 135319532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).