N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

C19H20N2OS — CID 16939048

IUPACN-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc2c(C(C)C)cccc2s1
InChIInChI=1S/C19H20N2OS/c1-13(2)16-10-7-11-17-18(16)20-19(23-17)21(14(3)22)12-15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3
InChIKeyRYKLBQITXRPKRO-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.97
Rot. Bonds4

About N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide

N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 16939048) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
PubChem CID16939048
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1)c1nc2c(C(C)C)cccc2s1
InChIInChI=1S/C19H20N2OS/c1-13(2)16-10-7-11-17-18(16)20-19(23-17)21(14(3)22)12-15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3
InChIKeyRYKLBQITXRPKRO-UHFFFAOYSA-N
XLogP4.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-methyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989882
N-benzyl-3,5-dinitro-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16841720
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfonylbenzamide
CID 43989979
N-benzyl-2-(4-ethylsulfanylphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 43989984
2,2-diphenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 43965775
N-benzyl-4-(diethylsulfamoyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16939049
4-phenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 43965761
N-benzyl-3-butoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989919
N-benzyl-4-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide
CID 16939075
N-benzyl-4-(difluoromethoxy)-3-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 2452849
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 16939256
N-benzyl-4-[(4-fluorophenyl)sulfonylamino]-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 43989959

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide (CID 16939048) is N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is CC(=O)N(Cc1ccccc1)c1nc2c(C(C)C)cccc2s1.
What is the InChIKey of N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is RYKLBQITXRPKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-13(2)16-10-7-11-17-18(16)20-19(23-17)21(14(3)22)12-15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3.
What are the key properties of N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide?
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 324.45 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 16939048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).