2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid

C19H18N2O4S2 — CID 178130906

IUPAC2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid
SMILESCOc1cnc2cc(C)nc(SCC(=O)c3ccc(C(C)C(=O)O)s3)c2c1
InChIInChI=1S/C19H18N2O4S2/c1-10-6-14-13(7-12(25-3)8-20-14)18(21-10)26-9-15(22)17-5-4-16(27-17)11(2)19(23)24/h4-8,11H,9H2,1-3H3,(H,23,24)
InChIKeyJOWFPXFUQRFHEE-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.17
Rot. Bonds7

About 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid

2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid (PubChem CID 178130906) has the molecular formula C19H18N2O4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid
PubChem CID178130906
Molecular FormulaC19H18N2O4S2
Molecular Weight402.50 g/mol
Exact Mass402.07
IUPAC Name2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid
SMILESCOc1cnc2cc(C)nc(SCC(=O)c3ccc(C(C)C(=O)O)s3)c2c1
InChIInChI=1S/C19H18N2O4S2/c1-10-6-14-13(7-12(25-3)8-20-14)18(21-10)26-9-15(22)17-5-4-16(27-17)11(2)19(23)24/h4-8,11H,9H2,1-3H3,(H,23,24)
InChIKeyJOWFPXFUQRFHEE-UHFFFAOYSA-N
XLogP4.17
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid?
The IUPAC name of 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid (CID 178130906) is 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid.
What is the SMILES notation for 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid?
The canonical SMILES for 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid is COc1cnc2cc(C)nc(SCC(=O)c3ccc(C(C)C(=O)O)s3)c2c1.
What is the InChIKey of 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid?
The InChIKey is JOWFPXFUQRFHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S2/c1-10-6-14-13(7-12(25-3)8-20-14)18(21-10)26-9-15(22)17-5-4-16(27-17)11(2)19(23)24/h4-8,11H,9H2,1-3H3,(H,23,24).
What are the key properties of 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid?
2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid has a molecular weight of 402.50 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[(3-methoxy-7-methyl-1,6-naphthyridin-5-yl)sulfanyl]acetyl]thiophen-2-yl]propanoic acid is sourced from PubChem (CID 178130906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).