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

C15H11NO3S2 — CID 20983584

IUPAC4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H11NO3S2/c17-15(18)10-3-5-11(6-4-10)19-8-14-16-12(9-21-14)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18)
InChIKeyHTWBPISLKFQGCL-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.15
Rot. Bonds5

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

4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid (PubChem CID 20983584) has the molecular formula C15H11NO3S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
PubChem CID20983584
Molecular FormulaC15H11NO3S2
Molecular Weight317.39 g/mol
Exact Mass317.02
IUPAC Name4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C15H11NO3S2/c17-15(18)10-3-5-11(6-4-10)19-8-14-16-12(9-21-14)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18)
InChIKeyHTWBPISLKFQGCL-UHFFFAOYSA-N
XLogP4.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983529
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55604969
4-[[4-[4-[(4-heptan-4-ylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]methoxy]benzoic acid
CID 58655576
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
4-[[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylamino]methyl]benzoic acid
CID 99796604
2-[(4-bromophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117187087
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594
(4-benzhydrylpiperazin-1-yl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methoxy]phenyl]methanone
CID 121094696
N-methyl-4-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]benzamide
CID 51124164

Frequently Asked Questions

What is the IUPAC name of 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid (CID 20983584) is 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid is O=C(O)c1ccc(OCc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The InChIKey is HTWBPISLKFQGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S2/c17-15(18)10-3-5-11(6-4-10)19-8-14-16-12(9-21-14)13-2-1-7-20-13/h1-7,9H,8H2,(H,17,18).
What are the key properties of 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid has a molecular weight of 317.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 20983584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).