3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide

C11H12N2OS2 — CID 15005944

IUPAC3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide
SMILESCNC(=O)CCSc1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS2/c1-12-10(14)6-7-15-11-13-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,12,14)
InChIKeyFZZJRXOPEOSEKB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.52
Rot. Bonds4

About 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide

3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide (PubChem CID 15005944) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide
PubChem CID15005944
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide
SMILESCNC(=O)CCSc1nc2ccccc2s1
InChIInChI=1S/C11H12N2OS2/c1-12-10(14)6-7-15-11-13-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,12,14)
InChIKeyFZZJRXOPEOSEKB-UHFFFAOYSA-N
XLogP2.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide 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

3-(1,3-benzothiazol-2-ylsulfanyl)propanoyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CID 88662878
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-iodophenyl)propanamide
CID 124537483
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
6-(1,3-benzothiazol-2-ylsulfanyl)hexan-2-one
CID 43793990
3-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 9081806
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9077691
[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]phenyl] thiocyanate
CID 23853901
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methylbutan-2-yl)butanamide
CID 2109065
3-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chlorophenyl)propanehydrazide
CID 39995846
methyl 2-amino-4-(1,3-benzothiazol-2-ylsulfanyl)butanoate
CID 63034653
4-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-phenylphenyl)butanamide
CID 7969044
[2-(methylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate
CID 7803309

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide (CID 15005944) is 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide is CNC(=O)CCSc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide?
The InChIKey is FZZJRXOPEOSEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-12-10(14)6-7-15-11-13-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,12,14).
What are the key properties of 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide?
3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpropanamide is sourced from PubChem (CID 15005944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).