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

C13H9NO3S3 — CID 66437775

IUPAC4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2csc(-c3ccsc3)n2)cs1
InChIInChI=1S/C13H9NO3S3/c15-13(16)11-3-10(7-19-11)17-4-9-6-20-12(14-9)8-1-2-18-5-8/h1-3,5-7H,4H2,(H,15,16)
InChIKeyGBNULAKOXKXQFY-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.21
Rot. Bonds5

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

4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66437775) has the molecular formula C13H9NO3S3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
PubChem CID66437775
Molecular FormulaC13H9NO3S3
Molecular Weight323.42 g/mol
Exact Mass322.97
IUPAC Name4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(OCc2csc(-c3ccsc3)n2)cs1
InChIInChI=1S/C13H9NO3S3/c15-13(16)11-3-10(7-19-11)17-4-9-6-20-12(14-9)8-1-2-18-5-8/h1-3,5-7H,4H2,(H,15,16)
InChIKeyGBNULAKOXKXQFY-UHFFFAOYSA-N
XLogP4.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 63851176
4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66438656
[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106485183
N-methyl-1-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 106486267
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-[(2-phenoxyacetyl)amino]acetate
CID 8748240
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3,4-dimethoxybenzoate
CID 8649074
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66439304
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
4-[(1-propan-2-ylpyrazol-3-yl)methoxy]thiophene-2-carboxylic acid
CID 66437561

Frequently Asked Questions

What is the IUPAC name of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid (CID 66437775) is 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is O=C(O)c1cc(OCc2csc(-c3ccsc3)n2)cs1.
What is the InChIKey of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is GBNULAKOXKXQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S3/c15-13(16)11-3-10(7-19-11)17-4-9-6-20-12(14-9)8-1-2-18-5-8/h1-3,5-7H,4H2,(H,15,16).
What are the key properties of 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid?
4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 323.42 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66437775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).