3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide

C19H18N2OS3 — CID 55387934

IUPAC3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C19H18N2OS3/c22-17(8-9-18-21-15-6-1-2-7-16(15)25-18)20-14-5-3-4-13(12-14)19-23-10-11-24-19/h1-7,12,19H,8-11H2,(H,20,22)
InChIKeyJXFDHYSDVUCWKY-UHFFFAOYSA-N
MW386.57 g/mol
LogP5.35
Rot. Bonds5

About 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide

3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide (PubChem CID 55387934) has the molecular formula C19H18N2OS3 and a molecular weight of 386.57 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide
PubChem CID55387934
Molecular FormulaC19H18N2OS3
Molecular Weight386.57 g/mol
Exact Mass386.06
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide
SMILESO=C(CCc1nc2ccccc2s1)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C19H18N2OS3/c22-17(8-9-18-21-15-6-1-2-7-16(15)25-18)20-14-5-3-4-13(12-14)19-23-10-11-24-19/h1-7,12,19H,8-11H2,(H,20,22)
InChIKeyJXFDHYSDVUCWKY-UHFFFAOYSA-N
XLogP5.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide 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-yl)-N-(3-ethynylphenyl)propanamide
CID 18147845
N-(4-amino-3,5-dichlorophenyl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 27161149
3-(1,3-benzothiazol-2-yl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110902223
3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 17459361
3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
2-[3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]phenyl]acetic acid
CID 119351780
3-(1,3-benzothiazol-2-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 18107216
4-(1,3-benzothiazol-2-yl)-N-[[3-(butanoylamino)phenyl]methyl]butanamide
CID 55782553
3-(1,3-benzothiazol-2-yl)-N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 26593218
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55498469
4-(1,3-benzothiazol-2-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638446
1-[[3-[4-(1,3-benzothiazol-2-yl)butanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55859277

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide (CID 55387934) is 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide is O=C(CCc1nc2ccccc2s1)Nc1cccc(C2SCCS2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide?
The InChIKey is JXFDHYSDVUCWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS3/c22-17(8-9-18-21-15-6-1-2-7-16(15)25-18)20-14-5-3-4-13(12-14)19-23-10-11-24-19/h1-7,12,19H,8-11H2,(H,20,22).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide?
3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide has a molecular weight of 386.57 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide is sourced from PubChem (CID 55387934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).