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

C17H24N3O2S+ — CID 7622271

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide
SMILESCCCC(=O)N(CC[NH+]1CCOCC1)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/p+1
InChIKeyPFRWHWLHWZFOIO-UHFFFAOYSA-O
MW334.46 g/mol
LogP1.34
Rot. Bonds6

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

N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide (PubChem CID 7622271) has the molecular formula C17H24N3O2S+ and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide
PubChem CID7622271
Molecular FormulaC17H24N3O2S+
Molecular Weight334.46 g/mol
Exact Mass334.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide
SMILESCCCC(=O)N(CC[NH+]1CCOCC1)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/p+1
InChIKeyPFRWHWLHWZFOIO-UHFFFAOYSA-O
XLogP1.34
TPSA46.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide
CID 7622695
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide
CID 7615509
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 7622272
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622224
N-(1,3-benzothiazol-2-yl)-5-chloro-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide
CID 7622257
N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7615505
N-(1,3-benzothiazol-2-yl)-3-chloro-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7622230
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 7436713
N-(6-ethyl-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 8698505
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7626312
N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7615555

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide (CID 7622271) is N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide is CCCC(=O)N(CC[NH+]1CCOCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide?
The InChIKey is PFRWHWLHWZFOIO-UHFFFAOYSA-O. 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/p+1.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide?
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide has a molecular weight of 334.46 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide is sourced from PubChem (CID 7622271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).