N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide

C20H21N3O2S — CID 108763411

IUPACN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C20H21N3O2S/c24-19(13-15-4-2-1-3-5-15)22-20-21-17-7-6-16(12-18(17)26-20)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-14H2,(H,21,22,24)
InChIKeyMIAMPARKQDPSOI-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.31
Rot. Bonds5

About N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide

N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide (PubChem CID 108763411) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
PubChem CID108763411
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C20H21N3O2S/c24-19(13-15-4-2-1-3-5-15)22-20-21-17-7-6-16(12-18(17)26-20)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-14H2,(H,21,22,24)
InChIKeyMIAMPARKQDPSOI-UHFFFAOYSA-N
XLogP3.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
2-(2-ethylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740818
4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763424
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
4-(2-chlorophenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763482
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 108740869
4-(4-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740858
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740892
2-chloroethyl N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]carbamate
CID 108740850

Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide (CID 108763411) is N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc2ccc(CN3CCOCC3)cc2s1.
What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
The InChIKey is MIAMPARKQDPSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-19(13-15-4-2-1-3-5-15)22-20-21-17-7-6-16(12-18(17)26-20)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-14H2,(H,21,22,24).
What are the key properties of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide?
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide has a molecular weight of 367.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 108763411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).