methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate

C17H20N2O4S — CID 56543406

IUPACmethyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
SMILESCCCCc1nc(C)c(C(=O)Nc2cccc(C(=O)OC)c2O)s1
InChIInChI=1S/C17H20N2O4S/c1-4-5-9-13-18-10(2)15(24-13)16(21)19-12-8-6-7-11(14(12)20)17(22)23-3/h6-8,20H,4-5,9H2,1-3H3,(H,19,21)
InChIKeyYHURZXQHIHXMRD-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.54
Rot. Bonds6

About methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate

methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate (PubChem CID 56543406) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
PubChem CID56543406
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Namemethyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
SMILESCCCCc1nc(C)c(C(=O)Nc2cccc(C(=O)OC)c2O)s1
InChIInChI=1S/C17H20N2O4S/c1-4-5-9-13-18-10(2)15(24-13)16(21)19-12-8-6-7-11(14(12)20)17(22)23-3/h6-8,20H,4-5,9H2,1-3H3,(H,19,21)
InChIKeyYHURZXQHIHXMRD-UHFFFAOYSA-N
XLogP3.54
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55684800
2-butyl-4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55990409
2-butyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55684953
methyl 3-[(4-hexoxybenzoyl)amino]-2-hydroxybenzoate
CID 108768094
2-butyl-4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 55881436
2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55807359
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389448
2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60547724
N-(5-amino-2-methylphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 120569197
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate?
The IUPAC name of methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate (CID 56543406) is methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate?
The canonical SMILES for methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate is CCCCc1nc(C)c(C(=O)Nc2cccc(C(=O)OC)c2O)s1.
What is the InChIKey of methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate?
The InChIKey is YHURZXQHIHXMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-5-9-13-18-10(2)15(24-13)16(21)19-12-8-6-7-11(14(12)20)17(22)23-3/h6-8,20H,4-5,9H2,1-3H3,(H,19,21).
What are the key properties of methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate?
methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate has a molecular weight of 348.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate is sourced from PubChem (CID 56543406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).