3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide

C18H18N2OS — CID 7964922

IUPAC3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc3ccccc3s2)c1C
InChIInChI=1S/C18H18N2OS/c1-12-6-5-8-14(13(12)2)19-17(21)10-11-18-20-15-7-3-4-9-16(15)22-18/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyBJFNCWVRQPLXQF-UHFFFAOYSA-N
MW310.42 g/mol
LogP4.48
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide

3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide (PubChem CID 7964922) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
PubChem CID7964922
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCc2nc3ccccc3s2)c1C
InChIInChI=1S/C18H18N2OS/c1-12-6-5-8-14(13(12)2)19-17(21)10-11-18-20-15-7-3-4-9-16(15)22-18/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyBJFNCWVRQPLXQF-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)pentanamide
CID 9039379
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
3-(1,3-benzothiazol-2-yl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 17493962
4-(1,3-benzothiazol-2-yl)-N-naphthalen-1-ylbutanamide
CID 26087329
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)pentanamide
CID 40710369
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
4-(1,3-benzothiazol-2-yl)-N-(2-propan-2-ylphenyl)butanamide
CID 26290774
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-(1,3-benzothiazol-2-yl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 43004526
3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
3-(1,3-benzothiazol-2-yl)-N-(1-methylpyrazol-3-yl)propanamide
CID 27161964

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide (CID 7964922) is 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)CCc2nc3ccccc3s2)c1C.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is BJFNCWVRQPLXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-12-6-5-8-14(13(12)2)19-17(21)10-11-18-20-15-7-3-4-9-16(15)22-18/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide?
3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 310.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 7964922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).