N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide

C16H14N2OS — CID 809473

IUPACN-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-2-15(19)17-16-18(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16/h3-11H,2H2,1H3/b17-16-
InChIKeyVETPWFDZLFWNHI-MSUUIHNZSA-N
MW282.37 g/mol
LogP3.53
Rot. Bonds2

About N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide

N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 809473) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound NameN-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID809473
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2ccccc2n1-c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-2-15(19)17-16-18(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16/h3-11H,2H2,1H3/b17-16-
InChIKeyVETPWFDZLFWNHI-MSUUIHNZSA-N
XLogP3.53
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide?
The IUPAC name of N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide (CID 809473) is N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide is CCC(=O)/N=c1\sc2ccccc2n1-c1ccccc1.
What is the InChIKey of N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is VETPWFDZLFWNHI-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-2-15(19)17-16-18(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16/h3-11H,2H2,1H3/b17-16-.
What are the key properties of N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide?
N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 282.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,3-benzothiazol-2-ylidene)propanamide is sourced from PubChem (CID 809473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).