2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide

C17H24N2OS — CID 54184308

IUPAC2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-5-11-19(12-6-4-2)17(20)13-16-18-14-9-7-8-10-15(14)21-16/h7-10H,3-6,11-13H2,1-2H3
InChIKeyPEALOPQRECPFLI-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.27
Rot. Bonds8

About 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide

2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide (PubChem CID 54184308) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide
PubChem CID54184308
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide
SMILESCCCCN(CCCC)C(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C17H24N2OS/c1-3-5-11-19(12-6-4-2)17(20)13-16-18-14-9-7-8-10-15(14)21-16/h7-10H,3-6,11-13H2,1-2H3
InChIKeyPEALOPQRECPFLI-UHFFFAOYSA-N
XLogP4.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-yl)-N-butyl-N-ethylbutanamide
CID 78783707
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
CID 66554003
(E)-3-(1,3-benzothiazol-2-yl)-N,N-dibutylprop-2-enamide
CID 55598803
1-(1,3-benzothiazol-2-yl)-3-ethylheptan-2-one
CID 43125597
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
2-[1,3-benzothiazol-2-yl(methyl)amino]-N,N-dipropylacetamide
CID 90605326
3-(1,3-benzothiazol-2-yl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119287
3-[4-(1,3-benzothiazol-2-yl)butanoyl-ethylamino]propanoic acid
CID 119190925
1-(1,3-benzothiazol-2-yl)-4-propoxybutan-2-one
CID 105118535
N-(1,3-benzothiazol-2-yl)-3-[butyl(methyl)amino]propanamide
CID 108806837
1,3-benzothiazol-2-ylmethyl 2-butylsulfanylpropanoate
CID 60546140

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide (CID 54184308) is 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide is CCCCN(CCCC)C(=O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide?
The InChIKey is PEALOPQRECPFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-3-5-11-19(12-6-4-2)17(20)13-16-18-14-9-7-8-10-15(14)21-16/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide?
2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide has a molecular weight of 304.46 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide is sourced from PubChem (CID 54184308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).