methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate

C13H17N3O4S — CID 70055022

IUPACmethyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCNN1CSC=C1c1nc(C(=O)OC)cc(OC)c1OC
InChIInChI=1S/C13H17N3O4S/c1-14-16-7-21-6-9(16)11-12(19-3)10(18-2)5-8(15-11)13(17)20-4/h5-6,14H,7H2,1-4H3
InChIKeyPBIRMIIOQZHDCD-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.32
Rot. Bonds5

About methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate

methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate (PubChem CID 70055022) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate
PubChem CID70055022
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Namemethyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate
SMILESCNN1CSC=C1c1nc(C(=O)OC)cc(OC)c1OC
InChIInChI=1S/C13H17N3O4S/c1-14-16-7-21-6-9(16)11-12(19-3)10(18-2)5-8(15-11)13(17)20-4/h5-6,14H,7H2,1-4H3
InChIKeyPBIRMIIOQZHDCD-UHFFFAOYSA-N
XLogP1.32
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4,5-dimethoxy-6-(1,3-thiazol-4-yl)pyridine-2-carboxylate
CID 54270021
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 4-methoxy-6-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679723
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
methyl 6-chloro-5-methoxypyridazine-3-carboxylate
CID 169452804
methyl 4-methoxy-[1]benzothiolo[3,2-b]pyridine-2-carboxylate
CID 10612292
methyl 3,4-dimethoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 18958757
methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
dimethyl 4-pyrrolidin-1-ylpyridine-2,6-dicarboxylate
CID 138673928

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate (CID 70055022) is methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate is CNN1CSC=C1c1nc(C(=O)OC)cc(OC)c1OC.
What is the InChIKey of methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate?
The InChIKey is PBIRMIIOQZHDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-14-16-7-21-6-9(16)11-12(19-3)10(18-2)5-8(15-11)13(17)20-4/h5-6,14H,7H2,1-4H3.
What are the key properties of methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate?
methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate has a molecular weight of 311.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-6-[3-(methylamino)-2H-1,3-thiazol-4-yl]pyridine-2-carboxylate is sourced from PubChem (CID 70055022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).