N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide

C15H21N3OS — CID 7577310

IUPACN-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
SMILESCCCC(=O)N(CCN(C)C)c1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-4-7-14(19)18(11-10-17(2)3)15-16-12-8-5-6-9-13(12)20-15/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyIPMQBIFULQPRCR-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.99
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide

N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide (PubChem CID 7577310) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
PubChem CID7577310
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
SMILESCCCC(=O)N(CCN(C)C)c1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-4-7-14(19)18(11-10-17(2)3)15-16-12-8-5-6-9-13(12)20-15/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKeyIPMQBIFULQPRCR-UHFFFAOYSA-N
XLogP2.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
CID 7577533
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-phenylsulfanylacetamide;hydrochloride
CID 18576513
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)butanamide
CID 7622271
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 7622272
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,2-diphenylacetamide
CID 7294703
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 44927458
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 43961254
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 6487729
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 7577002
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 44922628
N-(1,3-benzothiazol-2-yl)-3-chloro-N-[2-(dimethylamino)ethyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 44922652
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 41027156

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide (CID 7577310) is N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide is CCCC(=O)N(CCN(C)C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide?
The InChIKey is IPMQBIFULQPRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-7-14(19)18(11-10-17(2)3)15-16-12-8-5-6-9-13(12)20-15/h5-6,8-9H,4,7,10-11H2,1-3H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide?
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide has a molecular weight of 291.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 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-(dimethylamino)ethyl]butanamide is sourced from PubChem (CID 7577310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).