2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

C17H19ClN2O5S — CID 120689808

IUPAC2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOCCOc1ccc(Cl)cc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C17H19ClN2O5S/c1-9-14(17(22)23)26-16(20-9)10(2)19-15(21)12-8-11(18)4-5-13(12)25-7-6-24-3/h4-5,8,10H,6-7H2,1-3H3,(H,19,21)(H,22,23)
InChIKeySHVMFLOTBBJJTM-UHFFFAOYSA-N
MW398.87 g/mol
LogP3.32
Rot. Bonds8

About 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 120689808) has the molecular formula C17H19ClN2O5S and a molecular weight of 398.87 g/mol. Its IUPAC name is 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID120689808
Molecular FormulaC17H19ClN2O5S
Molecular Weight398.87 g/mol
Exact Mass398.07
IUPAC Name2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOCCOc1ccc(Cl)cc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C17H19ClN2O5S/c1-9-14(17(22)23)26-16(20-9)10(2)19-15(21)12-8-11(18)4-5-13(12)25-7-6-24-3/h4-5,8,10H,6-7H2,1-3H3,(H,19,21)(H,22,23)
InChIKeySHVMFLOTBBJJTM-UHFFFAOYSA-N
XLogP3.32
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 75518239
2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138057892
4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
5-chloro-2-(3-methylbutoxy)-N-[(1S)-1-phenylethyl]benzamide
CID 141125104
4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537651
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537583
2-[1-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537627
5-chloro-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 670791
2-bromo-5-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 78890426
2-[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9158618
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 120689808) is 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is COCCOc1ccc(Cl)cc1C(=O)NC(C)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is SHVMFLOTBBJJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5S/c1-9-14(17(22)23)26-16(20-9)10(2)19-15(21)12-8-11(18)4-5-13(12)25-7-6-24-3/h4-5,8,10H,6-7H2,1-3H3,(H,19,21)(H,22,23).
What are the key properties of 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 398.87 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 120689808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).