2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C18H22N2O4S — CID 163540582

IUPAC2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2OC2OCC(C)C(C)C2O)s1
InChIInChI=1S/C18H22N2O4S/c1-10-9-23-17(15(21)12(10)3)24-14-7-5-4-6-13(14)16(22)20-18-19-8-11(2)25-18/h4-8,10,12,15,17,21H,9H2,1-3H3,(H,19,20,22)
InChIKeyFATOUOLIQRMSLT-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.07
Rot. Bonds4

About 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 163540582) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID163540582
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2OC2OCC(C)C(C)C2O)s1
InChIInChI=1S/C18H22N2O4S/c1-10-9-23-17(15(21)12(10)3)24-14-7-5-4-6-13(14)16(22)20-18-19-8-11(2)25-18/h4-8,10,12,15,17,21H,9H2,1-3H3,(H,19,20,22)
InChIKeyFATOUOLIQRMSLT-UHFFFAOYSA-N
XLogP3.07
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 163540582) is 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2ccccc2OC2OCC(C)C(C)C2O)s1.
What is the InChIKey of 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is FATOUOLIQRMSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-10-9-23-17(15(21)12(10)3)24-14-7-5-4-6-13(14)16(22)20-18-19-8-11(2)25-18/h4-8,10,12,15,17,21H,9H2,1-3H3,(H,19,20,22).
What are the key properties of 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 362.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4,5-dimethyloxan-2-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 163540582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).