4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid

C19H26N2O4S — CID 18683415

IUPAC4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid
SMILESCC(Cc1ncc(CCCC(=O)O)s1)NCC(O)COc1ccccc1
InChIInChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)
InChIKeyBVBIXDIVUVDTEU-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.51
Rot. Bonds12

About 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid

4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid (PubChem CID 18683415) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid
PubChem CID18683415
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid
SMILESCC(Cc1ncc(CCCC(=O)O)s1)NCC(O)COc1ccccc1
InChIInChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24)
InChIKeyBVBIXDIVUVDTEU-UHFFFAOYSA-N
XLogP2.51
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic 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 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid?
The IUPAC name of 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid (CID 18683415) is 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid.
What is the SMILES notation for 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid?
The canonical SMILES for 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid is CC(Cc1ncc(CCCC(=O)O)s1)NCC(O)COc1ccccc1.
What is the InChIKey of 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid?
The InChIKey is BVBIXDIVUVDTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-14(10-18-21-12-17(26-18)8-5-9-19(23)24)20-11-15(22)13-25-16-6-3-2-4-7-16/h2-4,6-7,12,14-15,20,22H,5,8-11,13H2,1H3,(H,23,24).
What are the key properties of 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid?
4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid has a molecular weight of 378.49 g/mol, XLogP of 2.51, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-1,3-thiazol-5-yl]butanoic acid is sourced from PubChem (CID 18683415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).