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

C18H17NO4S2 — CID 2497236

IUPAC2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cc1OC
InChIInChI=1S/C18H17NO4S2/c1-3-23-12-7-6-11(9-13(12)22-2)18-19-17(14-5-4-8-24-14)15(25-18)10-16(20)21/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyIVHOVMBWKSZIPZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.57
Rot. Bonds7

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

2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid (PubChem CID 2497236) has the molecular formula C18H17NO4S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
PubChem CID2497236
Molecular FormulaC18H17NO4S2
Molecular Weight375.47 g/mol
Exact Mass375.06
IUPAC Name2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cc1OC
InChIInChI=1S/C18H17NO4S2/c1-3-23-12-7-6-11(9-13(12)22-2)18-19-17(14-5-4-8-24-14)15(25-18)10-16(20)21/h4-9H,3,10H2,1-2H3,(H,20,21)
InChIKeyIVHOVMBWKSZIPZ-UHFFFAOYSA-N
XLogP4.57
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid (CID 2497236) is 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid is CCOc1ccc(-c2nc(-c3cccs3)c(CC(=O)O)s2)cc1OC.
What is the InChIKey of 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is IVHOVMBWKSZIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S2/c1-3-23-12-7-6-11(9-13(12)22-2)18-19-17(14-5-4-8-24-14)15(25-18)10-16(20)21/h4-9H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid?
2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 2497236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).