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

C11H12N2OS — CID 66554003

IUPAC2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-13(2)11(14)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,7H2,1-2H3
InChIKeyZHMNMUJRUTZNDM-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.93
Rot. Bonds2

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

2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide (PubChem CID 66554003) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
PubChem CID66554003
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS/c1-13(2)11(14)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,7H2,1-2H3
InChIKeyZHMNMUJRUTZNDM-UHFFFAOYSA-N
XLogP1.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzothiazol-2-yl)-N,N-dibutylacetamide
CID 54184308
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
N'-acetyl-2-(1,3-benzothiazol-2-yl)acetohydrazide
CID 10634351
N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N-methylpropanamide
CID 43346972
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62817497
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
CID 26419053
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 8803612
(2Z)-3-(1,3-benzothiazol-2-yl)-2-hydroxyiminopropanoic acid
CID 134112094
1-(1,3-benzothiazol-2-yl)-4,4-difluorobutan-2-one
CID 147790284
3-[2-(1,3-benzothiazol-2-ylmethylamino)ethyl]-1,1-dimethylurea
CID 83120994

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide (CID 66554003) is 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide?
The InChIKey is ZHMNMUJRUTZNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-13(2)11(14)7-10-12-8-5-3-4-6-9(8)15-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide?
2-(1,3-benzothiazol-2-yl)-N,N-dimethylacetamide has a molecular weight of 220.30 g/mol, XLogP of 1.93, 2 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-dimethylacetamide is sourced from PubChem (CID 66554003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).