5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid

C14H10N2O3S2 — CID 63851176

IUPAC5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C14H10N2O3S2/c17-14(18)10-3-12(5-15-4-10)19-6-11-8-21-13(16-11)9-1-2-20-7-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeyLGCFOEOTPZNBQX-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.54
Rot. Bonds5

About 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid

5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63851176) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID63851176
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Name5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C14H10N2O3S2/c17-14(18)10-3-12(5-15-4-10)19-6-11-8-21-13(16-11)9-1-2-20-7-9/h1-5,7-8H,6H2,(H,17,18)
InChIKeyLGCFOEOTPZNBQX-UHFFFAOYSA-N
XLogP3.54
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66437775
5-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid
CID 63851353
[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106485183
5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid
CID 63850824
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 8748240
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106486267
4-[(5-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole-2-carboxylic acid
CID 64600945
5-(1-benzothiophen-3-ylmethoxy)pyridine-3-carboxylic acid
CID 63852193
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2,3-dioxo-1,4-dihydroquinoxaline-6-carboxylate
CID 8888083

Frequently Asked Questions

What is the IUPAC name of 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid (CID 63851176) is 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2csc(-c3ccsc3)n2)c1.
What is the InChIKey of 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is LGCFOEOTPZNBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c17-14(18)10-3-12(5-15-4-10)19-6-11-8-21-13(16-11)9-1-2-20-7-9/h1-5,7-8H,6H2,(H,17,18).
What are the key properties of 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid?
5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63851176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).