N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide

C15H21N3OS — CID 108806837

IUPACN-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-3-4-10-18(2)11-9-14(19)17-15-16-12-7-5-6-8-13(12)20-15/h5-8H,3-4,9-11H2,1-2H3,(H,16,17,19)
InChIKeyPNUSOUXZVDFTBB-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.36
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide

N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide (PubChem CID 108806837) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
PubChem CID108806837
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
SMILESCCCCN(C)CCC(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C15H21N3OS/c1-3-4-10-18(2)11-9-14(19)17-15-16-12-7-5-6-8-13(12)20-15/h5-8H,3-4,9-11H2,1-2H3,(H,16,17,19)
InChIKeyPNUSOUXZVDFTBB-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butyl(methyl)amino]-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 108795390
3-[butyl(methyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 108806870
N-(1,3-benzothiazol-2-yl)-4-trimethylsilylbutanamide
CID 53439401
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoate
CID 2063722
N-(1,3-benzothiazol-2-yl)-5-hydroxypentanamide
CID 79198900
3-[butyl(methyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 108795401
3-(1,3-benzothiazol-2-yl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119287
N-(1,3-benzothiazol-2-yl)-3-[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]propanamide
CID 95124409
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
1-(1,3-benzothiazol-2-yl)-3-octylurea
CID 5018517
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide (CID 108806837) is N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide is CCCCN(C)CCC(=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide?
The InChIKey is PNUSOUXZVDFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-4-10-18(2)11-9-14(19)17-15-16-12-7-5-6-8-13(12)20-15/h5-8H,3-4,9-11H2,1-2H3,(H,16,17,19).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide?
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide has a molecular weight of 291.42 g/mol, XLogP of 3.36, 7 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)-3-[butyl(methyl)amino]propanamide is sourced from PubChem (CID 108806837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).