3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid

C16H18N2O4S — CID 119221411

IUPAC3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
SMILESCc1nc(COc2cccc(C(=O)NC(C)CC(=O)O)c2)cs1
InChIInChI=1S/C16H18N2O4S/c1-10(6-15(19)20)17-16(21)12-4-3-5-14(7-12)22-8-13-9-23-11(2)18-13/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQMPBNZFHZRGHCW-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.62
Rot. Bonds7

About 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid

3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid (PubChem CID 119221411) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
PubChem CID119221411
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
SMILESCc1nc(COc2cccc(C(=O)NC(C)CC(=O)O)c2)cs1
InChIInChI=1S/C16H18N2O4S/c1-10(6-15(19)20)17-16(21)12-4-3-5-14(7-12)22-8-13-9-23-11(2)18-13/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQMPBNZFHZRGHCW-UHFFFAOYSA-N
XLogP2.62
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid with MolForge

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643901
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
N-[1-(3,4-difluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643860
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60568835
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
2-[2-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242448
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(1H-pyrazol-5-yl)benzamide
CID 47835663
(2S)-2-methyl-3-[methyl-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 97324502

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid?
The IUPAC name of 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid (CID 119221411) is 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid?
The canonical SMILES for 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid is Cc1nc(COc2cccc(C(=O)NC(C)CC(=O)O)c2)cs1.
What is the InChIKey of 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid?
The InChIKey is QMPBNZFHZRGHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10(6-15(19)20)17-16(21)12-4-3-5-14(7-12)22-8-13-9-23-11(2)18-13/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid?
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid has a molecular weight of 334.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid is sourced from PubChem (CID 119221411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).