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

C15H11NO3S2 — CID 20983529

IUPAC2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H11NO3S2/c17-15(18)10-4-1-2-5-12(10)19-8-14-16-11(9-21-14)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18)
InChIKeyRMJLBMKBVPIZHM-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.15
Rot. Bonds5

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

2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid (PubChem CID 20983529) has the molecular formula C15H11NO3S2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
PubChem CID20983529
Molecular FormulaC15H11NO3S2
Molecular Weight317.39 g/mol
Exact Mass317.02
IUPAC Name2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
SMILESO=C(O)c1ccccc1OCc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H11NO3S2/c17-15(18)10-4-1-2-5-12(10)19-8-14-16-11(9-21-14)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18)
InChIKeyRMJLBMKBVPIZHM-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

4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid
CID 20983584
2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]methoxy]benzoic acid
CID 20983524
2-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 43310246
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
2-[(2-methoxyphenoxy)methyl]-4-phenyl-1,3-thiazole
CID 2747349
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594

Frequently Asked Questions

What is the IUPAC name of 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid (CID 20983529) is 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid is O=C(O)c1ccccc1OCc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
The InChIKey is RMJLBMKBVPIZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S2/c17-15(18)10-4-1-2-5-12(10)19-8-14-16-11(9-21-14)13-6-3-7-20-13/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid?
2-[(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 2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 20983529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).