2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid

C18H22N2O5S — CID 119211791

IUPAC2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(OCc2cscn2)c(OC)c1)C(=O)O
InChIInChI=1S/C18H22N2O5S/c1-4-11(2)16(18(22)23)20-17(21)12-5-6-14(15(7-12)24-3)25-8-13-9-26-10-19-13/h5-7,9-11,16H,4,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDEDYMYNEDGPTPO-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.96
Rot. Bonds9

About 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid

2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid (PubChem CID 119211791) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
PubChem CID119211791
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc(OCc2cscn2)c(OC)c1)C(=O)O
InChIInChI=1S/C18H22N2O5S/c1-4-11(2)16(18(22)23)20-17(21)12-5-6-14(15(7-12)24-3)25-8-13-9-26-10-19-13/h5-7,9-11,16H,4,8H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyDEDYMYNEDGPTPO-UHFFFAOYSA-N
XLogP2.96
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]butanoic acid
CID 119223643
N-(2-hydroxypropyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78855067
N-[1-(3-acetamidophenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46580477
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55570650
ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 55654844
N-(4-iodophenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55577321
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798
1-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 43503800
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500354
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
3-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 37436089
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46586430

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid (CID 119211791) is 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccc(OCc2cscn2)c(OC)c1)C(=O)O.
What is the InChIKey of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid?
The InChIKey is DEDYMYNEDGPTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-4-11(2)16(18(22)23)20-17(21)12-5-6-14(15(7-12)24-3)25-8-13-9-26-10-19-13/h5-7,9-11,16H,4,8H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid?
2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid has a molecular weight of 378.45 g/mol, XLogP of 2.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 119211791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).