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

C20H21N3O3S — CID 11246068

IUPACN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc2sc(CO)nc2c1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3S/c24-13-19-22-17-11-16(5-6-18(17)27-19)21-20(25)15-3-1-14(2-4-15)12-23-7-9-26-10-8-23/h1-6,11,24H,7-10,12-13H2,(H,21,25)
InChIKeyLKWYTURFXOPZMD-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.87
Rot. Bonds5

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

N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide (PubChem CID 11246068) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide
PubChem CID11246068
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide
SMILESO=C(Nc1ccc2sc(CO)nc2c1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H21N3O3S/c24-13-19-22-17-11-16(5-6-18(17)27-19)21-20(25)15-3-1-14(2-4-15)12-23-7-9-26-10-8-23/h1-6,11,24H,7-10,12-13H2,(H,21,25)
InChIKeyLKWYTURFXOPZMD-UHFFFAOYSA-N
XLogP2.87
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide (CID 11246068) is N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide is O=C(Nc1ccc2sc(CO)nc2c1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide?
The InChIKey is LKWYTURFXOPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-13-19-22-17-11-16(5-6-18(17)27-19)21-20(25)15-3-1-14(2-4-15)12-23-7-9-26-10-8-23/h1-6,11,24H,7-10,12-13H2,(H,21,25).
What are the key properties of N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide?
N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide has a molecular weight of 383.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-1,3-benzothiazol-5-yl]-4-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 11246068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).