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

C17H19N3O4S — CID 120537583

IUPAC2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)NC(=O)c2ccc(C(=O)N(C)C)cc2)sc1C(=O)O
InChIInChI=1S/C17H19N3O4S/c1-9-13(17(23)24)25-15(19-9)10(2)18-14(21)11-5-7-12(8-6-11)16(22)20(3)4/h5-8,10H,1-4H3,(H,18,21)(H,23,24)
InChIKeyOPCWADZCPIQDEI-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.34
Rot. Bonds5

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

2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 120537583) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID120537583
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(C(C)NC(=O)c2ccc(C(=O)N(C)C)cc2)sc1C(=O)O
InChIInChI=1S/C17H19N3O4S/c1-9-13(17(23)24)25-15(19-9)10(2)18-14(21)11-5-7-12(8-6-11)16(22)20(3)4/h5-8,10H,1-4H3,(H,18,21)(H,23,24)
InChIKeyOPCWADZCPIQDEI-UHFFFAOYSA-N
XLogP2.34
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 75518239
2-[1-(1H-indole-5-carbonylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 86784879
4-methyl-2-[1-[(3-methylpyridine-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537651
2-[1-[(1,2-dimethylpyrrole-3-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 138057892
4-methyl-2-[1-[(3-methyl-5-nitrobenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120689835
2-[1-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537730
2-[1-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120689808
2-[1-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 120537627
4-[[4-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534770
4-methyl-2-[1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537593
4-methyl-2-[1-(4-naphthalen-2-ylbutanoylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 120537665
2-[1-(diethylamino)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82024576

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 120537583) is 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(C(C)NC(=O)c2ccc(C(=O)N(C)C)cc2)sc1C(=O)O.
What is the InChIKey of 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is OPCWADZCPIQDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-9-13(17(23)24)25-15(19-9)10(2)18-14(21)11-5-7-12(8-6-11)16(22)20(3)4/h5-8,10H,1-4H3,(H,18,21)(H,23,24).
What are the key properties of 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 361.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(dimethylcarbamoyl)benzoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 120537583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).