2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid

C18H14ClNO3S — CID 4980528

IUPAC2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc(COc3ccccc3Cl)cc2)n1
InChIInChI=1S/C18H14ClNO3S/c19-15-3-1-2-4-16(15)23-10-12-5-7-13(8-6-12)18-20-14(11-24-18)9-17(21)22/h1-8,11H,9-10H2,(H,21,22)
InChIKeyQFSSRGOJJAKRID-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.67
Rot. Bonds6

About 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 4980528) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID4980528
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(-c2ccc(COc3ccccc3Cl)cc2)n1
InChIInChI=1S/C18H14ClNO3S/c19-15-3-1-2-4-16(15)23-10-12-5-7-13(8-6-12)18-20-14(11-24-18)9-17(21)22/h1-8,11H,9-10H2,(H,21,22)
InChIKeyQFSSRGOJJAKRID-UHFFFAOYSA-N
XLogP4.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[(2,3-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980523
2-[2-[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980592
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
2-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]acetic acid
CID 4874786
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
2-[2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20988616
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]acetic acid
CID 86776513
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid (CID 4980528) is 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(-c2ccc(COc3ccccc3Cl)cc2)n1.
What is the InChIKey of 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QFSSRGOJJAKRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c19-15-3-1-2-4-16(15)23-10-12-5-7-13(8-6-12)18-20-14(11-24-18)9-17(21)22/h1-8,11H,9-10H2,(H,21,22).
What are the key properties of 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 359.83 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 4980528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).