4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid

C18H14N2O4S — CID 57342036

IUPAC4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3)s2)cc1
InChIInChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyUPIVZLFKYMNZDG-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.77
Rot. Bonds5

About 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid

4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid (PubChem CID 57342036) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid
PubChem CID57342036
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC Name4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3)s2)cc1
InChIInChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChIKeyUPIVZLFKYMNZDG-UHFFFAOYSA-N
XLogP3.77
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
3-(2-hydroxyethoxy)-4-(2-methoxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45270685
N-(5-(3,5-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270906
N-(5-(3,5-bis(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272403
N-(5-(4-fluoro-3-(trifluoromethyl)benzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272620
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4527908
N-(5-(4-methoxybenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 779445
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 44250031
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethoxy)benzyl)thiazol-2-yl)benzamide
CID 45267479
4-(2-hydroxyethoxy)-3-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45267558
N-(5-(3-fluoro-4-methylbenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45268354
3,4-bis(2-hydroxyethoxy)-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 45269859

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid?
The IUPAC name of 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid (CID 57342036) is 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid.
What is the SMILES notation for 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid?
The canonical SMILES for 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid is COc1ccc(C(=O)Nc2ncc(-c3ccc(C(=O)O)cc3)s2)cc1.
What is the InChIKey of 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid?
The InChIKey is UPIVZLFKYMNZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c1-24-14-8-6-12(7-9-14)16(21)20-18-19-10-15(25-18)11-2-4-13(5-3-11)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid?
4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid has a molecular weight of 354.39 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxybenzoyl)amino]-1,3-thiazol-5-yl]benzoic acid is sourced from PubChem (CID 57342036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).