5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide

C17H20N2OS3 — CID 24648854

IUPAC5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESO=C(CCCCC1CCSS1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H20N2OS3/c20-16(4-2-1-3-15-9-11-22-23-15)19-14-7-5-13(6-8-14)17-18-10-12-21-17/h5-8,10,12,15H,1-4,9,11H2,(H,19,20)
InChIKeyXMHBMFWKKVFXCU-UHFFFAOYSA-N
MW364.56 g/mol
LogP5.46
Rot. Bonds7

About 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide

5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide (PubChem CID 24648854) has the molecular formula C17H20N2OS3 and a molecular weight of 364.56 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
PubChem CID24648854
Molecular FormulaC17H20N2OS3
Molecular Weight364.56 g/mol
Exact Mass364.07
IUPAC Name5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
SMILESO=C(CCCCC1CCSS1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H20N2OS3/c20-16(4-2-1-3-15-9-11-22-23-15)19-14-7-5-13(6-8-14)17-18-10-12-21-17/h5-8,10,12,15H,1-4,9,11H2,(H,19,20)
InChIKeyXMHBMFWKKVFXCU-UHFFFAOYSA-N
XLogP5.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

5-(dithiolan-3-yl)-N-[4-(propanoylamino)phenyl]pentanamide
CID 55847390
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
5-[(3S)-dithiolan-3-yl]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pentanamide
CID 95044689
5-(dithiolan-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pentanamide
CID 102564787
3,3-dicyclopropyl-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 71936941
N-[2-(4-bromoanilino)-2-oxoethyl]-5-(dithiolan-3-yl)pentanamide
CID 55959922
5-(dithiolan-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pentanamide
CID 24646698
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
5-(dithiolan-3-yl)-N-(4-oxo-3H-quinazolin-6-yl)pentanamide
CID 135639539
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
N-(3-acetamido-4-fluorophenyl)-5-(dithiolan-3-yl)pentanamide
CID 55546012

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide (CID 24648854) is 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide is O=C(CCCCC1CCSS1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
The InChIKey is XMHBMFWKKVFXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS3/c20-16(4-2-1-3-15-9-11-22-23-15)19-14-7-5-13(6-8-14)17-18-10-12-21-17/h5-8,10,12,15H,1-4,9,11H2,(H,19,20).
What are the key properties of 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide?
5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide has a molecular weight of 364.56 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide is sourced from PubChem (CID 24648854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).