N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide

C17H16N2OS — CID 682912

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2OS/c1-12-7-9-14-15(11-12)21-17(18-14)19-16(20)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19,20)
InChIKeyBQLASLNUWCPEBS-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.18
Rot. Bonds4

About N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide

N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide (PubChem CID 682912) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
PubChem CID682912
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
SMILESCc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1
InChIInChI=1S/C17H16N2OS/c1-12-7-9-14-15(11-12)21-17(18-14)19-16(20)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19,20)
InChIKeyBQLASLNUWCPEBS-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 24535645
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
N-(6-nitro-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 694783
1-benzyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 42733059
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 3472361
methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 110756987
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]-3-phenylpropanamide
CID 108740918
N-(2-hydroxyethyl)-N'-(6-methyl-1,3-benzothiazol-2-yl)butanediamide
CID 2067233
3-(tert-butylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 60851102
N-[3-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 2555545
3-(2-acetamido-1,3-benzothiazol-6-yl)-N-(3,5-dimethylphenyl)propanamide
CID 46289391
N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-3-phenylpropanamide
CID 176776992

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide (CID 682912) is N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide is Cc1ccc2nc(NC(=O)CCc3ccccc3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
The InChIKey is BQLASLNUWCPEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-7-9-14-15(11-12)21-17(18-14)19-16(20)10-8-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,18,19,20).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide has a molecular weight of 296.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 682912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).