N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide

C17H23N3O2S — CID 7622272

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCCC(=O)N(CCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C17H23N3O2S/c1-2-5-16(21)20(9-8-19-10-12-22-13-11-19)17-18-14-6-3-4-7-15(14)23-17/h3-4,6-7H,2,5,8-13H2,1H3
InChIKeyPFRWHWLHWZFOIO-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.76
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide

N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 7622272) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID7622272
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCCC(=O)N(CCN1CCOCC1)c1nc2ccccc2s1
InChIInChI=1S/C17H23N3O2S/c1-2-5-16(21)20(9-8-19-10-12-22-13-11-19)17-18-14-6-3-4-7-15(14)23-17/h3-4,6-7H,2,5,8-13H2,1H3
InChIKeyPFRWHWLHWZFOIO-UHFFFAOYSA-N
XLogP2.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenylsulfanylacetamide
CID 7622294
3-(benzenesulfonyl)-N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 18583022
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 7615538
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide
CID 7622271
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 7622932
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622225
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide;hydrochloride
CID 44933274
N-(1,3-benzothiazol-2-yl)-3-chloro-N-(2-morpholin-4-ylethyl)-1-benzothiophene-2-carboxamide
CID 29137416
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 43997067
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 7622394
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
CID 44899699

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide (CID 7622272) is N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide is CCCC(=O)N(CCN1CCOCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is PFRWHWLHWZFOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-5-16(21)20(9-8-19-10-12-22-13-11-19)17-18-14-6-3-4-7-15(14)23-17/h3-4,6-7H,2,5,8-13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide?
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 333.46 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 7622272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).