N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide

C19H20N2O3S — CID 11314287

IUPACN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1
InChIInChI=1S/C19H20N2O3S/c1-19(2,3)24-14-7-4-12(5-8-14)18(23)20-13-6-9-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23)
InChIKeyKTDFBWQFAWZEDP-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.22
Rot. Bonds4

About N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide

N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 11314287) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID11314287
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCC(C)(C)Oc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1
InChIInChI=1S/C19H20N2O3S/c1-19(2,3)24-14-7-4-12(5-8-14)18(23)20-13-6-9-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23)
InChIKeyKTDFBWQFAWZEDP-UHFFFAOYSA-N
XLogP4.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 11314287) is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide is CC(C)(C)Oc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is KTDFBWQFAWZEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-19(2,3)24-14-7-4-12(5-8-14)18(23)20-13-6-9-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide?
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 356.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 11314287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).