2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid

C18H14ClNO3S — CID 4151303

IUPAC2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C18H14ClNO3S/c1-23-14-8-4-11(5-9-14)17-15(10-16(21)22)24-18(20-17)12-2-6-13(19)7-3-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyRGLRLYSWAHNUMP-UHFFFAOYSA-N
MW359.83 g/mol
LogP4.77
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid

2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 4151303) has the molecular formula C18H14ClNO3S and a molecular weight of 359.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID4151303
Molecular FormulaC18H14ClNO3S
Molecular Weight359.83 g/mol
Exact Mass359.04
IUPAC Name2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)cc1
InChIInChI=1S/C18H14ClNO3S/c1-23-14-8-4-11(5-9-14)17-15(10-16(21)22)24-18(20-17)12-2-6-13(19)7-3-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyRGLRLYSWAHNUMP-UHFFFAOYSA-N
XLogP4.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid (CID 4151303) is 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is RGLRLYSWAHNUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3S/c1-23-14-8-4-11(5-9-14)17-15(10-16(21)22)24-18(20-17)12-2-6-13(19)7-3-12/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 359.83 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 4151303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).