2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid

C17H17N3O7S — CID 84555720

IUPAC2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NC(CCC(=O)O)C(=O)O)cs2)cc1
InChIInChI=1S/C17H17N3O7S/c1-27-10-4-2-9(3-5-10)14(23)20-17-19-12(8-28-17)15(24)18-11(16(25)26)6-7-13(21)22/h2-5,8,11H,6-7H2,1H3,(H,18,24)(H,21,22)(H,25,26)(H,19,20,23)
InChIKeySAIPGJJOJXTPDC-UHFFFAOYSA-N
MW407.40 g/mol
LogP1.45
Rot. Bonds9

About 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid

2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid (PubChem CID 84555720) has the molecular formula C17H17N3O7S and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid
PubChem CID84555720
Molecular FormulaC17H17N3O7S
Molecular Weight407.40 g/mol
Exact Mass407.08
IUPAC Name2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NC(CCC(=O)O)C(=O)O)cs2)cc1
InChIInChI=1S/C17H17N3O7S/c1-27-10-4-2-9(3-5-10)14(23)20-17-19-12(8-28-17)15(24)18-11(16(25)26)6-7-13(21)22/h2-5,8,11H,6-7H2,1H3,(H,18,24)(H,21,22)(H,25,26)(H,19,20,23)
InChIKeySAIPGJJOJXTPDC-UHFFFAOYSA-N
XLogP1.45
TPSA154.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid with MolForge

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Related Compounds

2-[(4-methoxybenzoyl)amino]pentanedioic acid
CID 23136259
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559
2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199703
2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
5-methoxy-2-[(4-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 82780991
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
N-hexyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555627
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698
N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555706
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84556753

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid (CID 84555720) is 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid is COc1ccc(C(=O)Nc2nc(C(=O)NC(CCC(=O)O)C(=O)O)cs2)cc1.
What is the InChIKey of 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid?
The InChIKey is SAIPGJJOJXTPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O7S/c1-27-10-4-2-9(3-5-10)14(23)20-17-19-12(8-28-17)15(24)18-11(16(25)26)6-7-13(21)22/h2-5,8,11H,6-7H2,1H3,(H,18,24)(H,21,22)(H,25,26)(H,19,20,23).
What are the key properties of 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid?
2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid has a molecular weight of 407.40 g/mol, XLogP of 1.45, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 84555720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).