3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid

C13H11NO3S — CID 170992320

IUPAC3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nccs2)c(OC2CC2)c1
InChIInChI=1S/C13H11NO3S/c15-13(16)8-1-4-10(12-14-5-6-18-12)11(7-8)17-9-2-3-9/h1,4-7,9H,2-3H2,(H,15,16)
InChIKeyUONCFFVPHXUJJB-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.05
Rot. Bonds4

About 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid

3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid (PubChem CID 170992320) has the molecular formula C13H11NO3S and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid
PubChem CID170992320
Molecular FormulaC13H11NO3S
Molecular Weight261.30 g/mol
Exact Mass261.05
IUPAC Name3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2nccs2)c(OC2CC2)c1
InChIInChI=1S/C13H11NO3S/c15-13(16)8-1-4-10(12-14-5-6-18-12)11(7-8)17-9-2-3-9/h1,4-7,9H,2-3H2,(H,15,16)
InChIKeyUONCFFVPHXUJJB-UHFFFAOYSA-N
XLogP3.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-3-cyclopropyloxybenzoic acid
CID 122501354
5-bromo-2-(1,3-thiazol-2-yl)benzoic acid
CID 169450844
3-cyclopentyloxy-4-ethylbenzoic acid
CID 54073222
3-methoxy-4-(thian-4-yloxy)benzoic acid
CID 117424675
5-methoxy-2-(1,3-thiazol-2-yl)benzoic acid
CID 171617965
4-amino-3-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64740775
4-cyclopropyloxy-3-(hydroxymethyl)benzoic acid;ethane
CID 144796211
2-(1,3-thiazol-2-yl)benzoic acid
CID 19979384
3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 70978507
1-cyclopropyloxy-2,4-difluorobenzene;1,3-thiazol-2-ylcarbamic acid
CID 88542127
4-[5-methyl-2-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydroindol-1-yl]benzoic acid
CID 59320713
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid (CID 170992320) is 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid is O=C(O)c1ccc(-c2nccs2)c(OC2CC2)c1.
What is the InChIKey of 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid?
The InChIKey is UONCFFVPHXUJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3S/c15-13(16)8-1-4-10(12-14-5-6-18-12)11(7-8)17-9-2-3-9/h1,4-7,9H,2-3H2,(H,15,16).
What are the key properties of 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid?
3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid has a molecular weight of 261.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-4-(1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 170992320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).