2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

C15H20N2OS — CID 16938454

IUPAC2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)c1cccc2sc(NC(=O)C(C)(C)C)nc12
InChIInChI=1S/C15H20N2OS/c1-9(2)10-7-6-8-11-12(10)16-14(19-11)17-13(18)15(3,4)5/h6-9H,1-5H3,(H,16,17,18)
InChIKeyLNJSZBALUXQNGL-UHFFFAOYSA-N
MW276.40 g/mol
LogP4.40
Rot. Bonds2

About 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide

2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (PubChem CID 16938454) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
PubChem CID16938454
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
SMILESCC(C)c1cccc2sc(NC(=O)C(C)(C)C)nc12
InChIInChI=1S/C15H20N2OS/c1-9(2)10-7-6-8-11-12(10)16-14(19-11)17-13(18)15(3,4)5/h6-9H,1-5H3,(H,16,17,18)
InChIKeyLNJSZBALUXQNGL-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938385
1-cyclopentyl-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121082874
4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 43990025
1-(3,4-dimethylphenyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081370
1-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121082871
1-(2-phenylethyl)-3-(4-propan-2-yl-1,3-benzothiazol-2-yl)urea
CID 121081369
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
1-(4-propan-2-yl-1,3-benzothiazol-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 121082867
2-(4-ethoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16938538
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938430

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide (CID 16938454) is 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is CC(C)c1cccc2sc(NC(=O)C(C)(C)C)nc12.
What is the InChIKey of 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
The InChIKey is LNJSZBALUXQNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9(2)10-7-6-8-11-12(10)16-14(19-11)17-13(18)15(3,4)5/h6-9H,1-5H3,(H,16,17,18).
What are the key properties of 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide?
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide has a molecular weight of 276.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 16938454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).