2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate

C42H42N6O12S3 — CID 159856855

IUPAC2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ncc(C)s1.Cc1cnc(NC(=O)c2ccccc2O)s1.Cc1cnc(NC(=O)c2ccccc2OC2CC(OC=O)C(O)C(O)C2O)s1
InChIInChI=1S/C18H20N2O7S.C13H12N2O3S.C11H10N2O2S/c1-9-7-19-18(28-9)20-17(25)10-4-2-3-5-11(10)27-13-6-12(26-8-21)14(22)16(24)15(13)23;1-8-7-14-13(19-8)15-12(17)10-5-3-4-6-11(10)18-9(2)16;1-7-6-12-11(16-7)13-10(15)8-4-2-3-5-9(8)14/h2-5,7-8,12-16,22-24H,6H2,1H3,(H,19,20,25);3-7H,1-2H3,(H,14,15,17);2-6,14H,1H3,(H,12,13,15)
InChIKeyNQQGBCDOSVUCSK-UHFFFAOYSA-N
MW919.03 g/mol
LogP5.52
Rot. Bonds11

About 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate

2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate (PubChem CID 159856855) has the molecular formula C42H42N6O12S3 and a molecular weight of 919.03 g/mol. Its IUPAC name is 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate.

Molecular Properties

Compound Name2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate
PubChem CID159856855
Molecular FormulaC42H42N6O12S3
Molecular Weight919.03 g/mol
Exact Mass918.20
IUPAC Name2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate
SMILESCC(=O)Oc1ccccc1C(=O)Nc1ncc(C)s1.Cc1cnc(NC(=O)c2ccccc2O)s1.Cc1cnc(NC(=O)c2ccccc2OC2CC(OC=O)C(O)C(O)C2O)s1
InChIInChI=1S/C18H20N2O7S.C13H12N2O3S.C11H10N2O2S/c1-9-7-19-18(28-9)20-17(25)10-4-2-3-5-11(10)27-13-6-12(26-8-21)14(22)16(24)15(13)23;1-8-7-14-13(19-8)15-12(17)10-5-3-4-6-11(10)18-9(2)16;1-7-6-12-11(16-7)13-10(15)8-4-2-3-5-9(8)14/h2-5,7-8,12-16,22-24H,6H2,1H3,(H,19,20,25);3-7H,1-2H3,(H,14,15,17);2-6,14H,1H3,(H,12,13,15)
InChIKeyNQQGBCDOSVUCSK-UHFFFAOYSA-N
XLogP5.52
TPSA268.72 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500919.03
LogP ≤ 55.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate with MolForge

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Related Compounds

sodium;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;2-[[5-(methyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]carbamoyl]phenolate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
CID 157756701
2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3,4,5-trihydroxy-6-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]oxan-2-yl] formate
CID 157894248
[3,4,5-Trihydroxy-6-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]oxan-2-yl] formate
CID 157894249
2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[3,4,5-trihydroxy-6-[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenoxy]oxan-2-yl] formate
CID 157913957
2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;methane;[2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
CID 159415536
2-[6-(hydroperoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
CID 160183267
2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;3,4,5-trihydroxy-6-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]oxane-2-carboxylic acid
CID 165105910
3,4,5-Trihydroxy-6-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]oxane-2-carboxylic acid
CID 165105911
2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;3,4,5-trihydroxy-6-[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenoxy]oxane-2-carboxylic acid
CID 167540574
[2,3,4-Trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate
CID 159856856

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate?
The IUPAC name of 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate (CID 159856855) is 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate.
What is the SMILES notation for 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate?
The canonical SMILES for 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate is CC(=O)Oc1ccccc1C(=O)Nc1ncc(C)s1.Cc1cnc(NC(=O)c2ccccc2O)s1.Cc1cnc(NC(=O)c2ccccc2OC2CC(OC=O)C(O)C(O)C2O)s1.
What is the InChIKey of 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate?
The InChIKey is NQQGBCDOSVUCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S.C13H12N2O3S.C11H10N2O2S/c1-9-7-19-18(28-9)20-17(25)10-4-2-3-5-11(10)27-13-6-12(26-8-21)14(22)16(24)15(13)23;1-8-7-14-13(19-8)15-12(17)10-5-3-4-6-11(10)18-9(2)16;1-7-6-12-11(16-7)13-10(15)8-4-2-3-5-9(8)14/h2-5,7-8,12-16,22-24H,6H2,1H3,(H,19,20,25);3-7H,1-2H3,(H,14,15,17);2-6,14H,1H3,(H,12,13,15).
What are the key properties of 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate?
2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate has a molecular weight of 919.03 g/mol, XLogP of 5.52, 11 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide;[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2,3,4-trihydroxy-5-[2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]phenoxy]cyclohexyl] formate is sourced from PubChem (CID 159856855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).