4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid

C11H8ClNO3S — CID 107672857

IUPAC4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1nc(Cl)cs1
InChIInChI=1S/C11H8ClNO3S/c1-6-4-7(10(14)15)2-3-8(6)16-11-13-9(12)5-17-11/h2-5H,1H3,(H,14,15)
InChIKeyHIHXZZQZUGSJTC-UHFFFAOYSA-N
MW269.71 g/mol
LogP3.60
Rot. Bonds3

About 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid

4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid (PubChem CID 107672857) has the molecular formula C11H8ClNO3S and a molecular weight of 269.71 g/mol. Its IUPAC name is 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
PubChem CID107672857
Molecular FormulaC11H8ClNO3S
Molecular Weight269.71 g/mol
Exact Mass268.99
IUPAC Name4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1Oc1nc(Cl)cs1
InChIInChI=1S/C11H8ClNO3S/c1-6-4-7(10(14)15)2-3-8(6)16-11-13-9(12)5-17-11/h2-5H,1H3,(H,14,15)
InChIKeyHIHXZZQZUGSJTC-UHFFFAOYSA-N
XLogP3.60
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
The IUPAC name of 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid (CID 107672857) is 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
The canonical SMILES for 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1Oc1nc(Cl)cs1.
What is the InChIKey of 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
The InChIKey is HIHXZZQZUGSJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3S/c1-6-4-7(10(14)15)2-3-8(6)16-11-13-9(12)5-17-11/h2-5H,1H3,(H,14,15).
What are the key properties of 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid?
4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid has a molecular weight of 269.71 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1,3-thiazol-2-yl)oxy]-3-methylbenzoic acid is sourced from PubChem (CID 107672857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).