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

C21H23N3O2S — CID 108740918

IUPACN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C21H23N3O2S/c25-20(9-7-16-4-2-1-3-5-16)23-21-22-18-8-6-17(14-19(18)27-21)15-24-10-12-26-13-11-24/h1-6,8,14H,7,9-13,15H2,(H,22,23,25)
InChIKeyDJWPPQKCMWRTOE-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.70
Rot. Bonds6

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

N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide (PubChem CID 108740918) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
PubChem CID108740918
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2ccc(CN3CCOCC3)cc2s1
InChIInChI=1S/C21H23N3O2S/c25-20(9-7-16-4-2-1-3-5-16)23-21-22-18-8-6-17(14-19(18)27-21)15-24-10-12-26-13-11-24/h1-6,8,14H,7,9-13,15H2,(H,22,23,25)
InChIKeyDJWPPQKCMWRTOE-UHFFFAOYSA-N
XLogP3.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-phenylacetamide
CID 108763411
4-(1,3-dioxoisoindol-2-yl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763424
2-methoxy-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740900
4-(2-chlorophenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]butanamide
CID 108763482
4-(4-methylphenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740884
4-(4-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-4-oxobutanamide
CID 108740858
2-(2-ethylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740818
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 108740869
2-(4-methylphenoxy)-N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]acetamide
CID 108740895
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108798130

Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide (CID 108740918) is N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2ccc(CN3CCOCC3)cc2s1.
What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
The InChIKey is DJWPPQKCMWRTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-20(9-7-16-4-2-1-3-5-16)23-21-22-18-8-6-17(14-19(18)27-21)15-24-10-12-26-13-11-24/h1-6,8,14H,7,9-13,15H2,(H,22,23,25).
What are the key properties of N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide?
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide has a molecular weight of 381.50 g/mol, XLogP of 3.70, 6 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]-3-phenylpropanamide is sourced from PubChem (CID 108740918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).