methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate

C10H8N2O3S — CID 91807661

IUPACmethyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(Oc2cncs2)c1
InChIInChI=1S/C10H8N2O3S/c1-14-10(13)7-2-8(4-11-3-7)15-9-5-12-6-16-9/h2-6H,1H3
InChIKeyICPXWCFJZCRYLW-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.12
Rot. Bonds3

About methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate

methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate (PubChem CID 91807661) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate
PubChem CID91807661
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Namemethyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(Oc2cncs2)c1
InChIInChI=1S/C10H8N2O3S/c1-14-10(13)7-2-8(4-11-3-7)15-9-5-12-6-16-9/h2-6H,1H3
InChIKeyICPXWCFJZCRYLW-UHFFFAOYSA-N
XLogP2.12
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 5-(4-nitrophenoxy)pyridine-3-carboxylate
CID 22040734
4-(1,3-thiazol-5-yloxy)benzamide
CID 142116929
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
methyl 5-phenylmethoxypyridine-3-carboxylate
CID 57421820
methyl 5-methylsulfinylpyridine-3-carboxylate
CID 142057010
methyl 5-[(Z)-C-chloro-N-hydroxycarbonimidoyl]pyridine-3-carboxylate
CID 135258489
methyl 5-(2-hydroxypropan-2-yl)pyridine-3-carboxylate
CID 66684512
5-(1,3-thiazol-5-yloxy)benzene-1,3-dicarbonitrile
CID 90799556
methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate
CID 177196861
methyl [1,3]thiazolo[5,4-b]pyridine-6-carboxylate
CID 68985089

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate (CID 91807661) is methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate is COC(=O)c1cncc(Oc2cncs2)c1.
What is the InChIKey of methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate?
The InChIKey is ICPXWCFJZCRYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-14-10(13)7-2-8(4-11-3-7)15-9-5-12-6-16-9/h2-6H,1H3.
What are the key properties of methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate?
methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate has a molecular weight of 236.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1,3-thiazol-5-yloxy)pyridine-3-carboxylate is sourced from PubChem (CID 91807661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).