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

C16H18N2O4S — CID 120702327

IUPAC4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(-c2nc(C)cs2)c1)C(=O)O
InChIInChI=1S/C16H18N2O4S/c1-10-9-23-15(17-10)12-5-3-4-11(8-12)14(19)18-13(16(20)21)6-7-22-2/h3-5,8-9,13H,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyROJSIGBWZDJVBW-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.34
Rot. Bonds7

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

4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid (PubChem CID 120702327) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
PubChem CID120702327
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
SMILESCOCCC(NC(=O)c1cccc(-c2nc(C)cs2)c1)C(=O)O
InChIInChI=1S/C16H18N2O4S/c1-10-9-23-15(17-10)12-5-3-4-11(8-12)14(19)18-13(16(20)21)6-7-22-2/h3-5,8-9,13H,6-7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyROJSIGBWZDJVBW-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid
CID 119170390
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenoxyethoxy)benzamide
CID 110354990
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
N-[2-(methylamino)propyl]-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 120828174
2-(1H-indole-6-carbonylamino)-4-methoxybutanoic acid
CID 63749129
N-(3,4-dimethoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110356068
methyl 2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]benzoate
CID 110356107
2-[(4-ethoxyphenyl)methyl]-3-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]propanoic acid
CID 166224815
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide;dihydrochloride
CID 119606777
N-(2-cyanopropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110406254
3-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]-propan-2-ylamino]propanoic acid
CID 119207680
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid (CID 120702327) is 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid is COCCC(NC(=O)c1cccc(-c2nc(C)cs2)c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid?
The InChIKey is ROJSIGBWZDJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-10-9-23-15(17-10)12-5-3-4-11(8-12)14(19)18-13(16(20)21)6-7-22-2/h3-5,8-9,13H,6-7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid?
4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid has a molecular weight of 334.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 120702327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).