5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

C12H18N2OS3 — CID 24645329

IUPAC5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1csc(NC(=O)CCCCC2CCSS2)n1
InChIInChI=1S/C12H18N2OS3/c1-9-8-16-12(13-9)14-11(15)5-3-2-4-10-6-7-17-18-10/h8,10H,2-7H2,1H3,(H,13,14,15)
InChIKeyILNZXIVFIHOJCY-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.10
Rot. Bonds6

About 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide

5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (PubChem CID 24645329) has the molecular formula C12H18N2OS3 and a molecular weight of 302.49 g/mol. Its IUPAC name is 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
PubChem CID24645329
Molecular FormulaC12H18N2OS3
Molecular Weight302.49 g/mol
Exact Mass302.06
IUPAC Name5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
SMILESCc1csc(NC(=O)CCCCC2CCSS2)n1
InChIInChI=1S/C12H18N2OS3/c1-9-8-16-12(13-9)14-11(15)5-3-2-4-10-6-7-17-18-10/h8,10H,2-7H2,1H3,(H,13,14,15)
InChIKeyILNZXIVFIHOJCY-UHFFFAOYSA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.10
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'}

Analyze 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide 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

5-[(3S)-dithiolan-3-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentanamide
CID 35875492
5-(dithiolan-3-yl)-N-[4-(propanoylamino)phenyl]pentanamide
CID 55847390
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
5-(dithiolan-3-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 55636834
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 52716207
N-(6,7-dimethyl-1,4-dioxonaphthalen-2-yl)-5-[(3R)-dithiolan-3-yl]pentanamide
CID 163240759
N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-(4-methyl-1,3-thiazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 60850227
5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 24648854
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
5-(dithiolan-3-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pentanamide
CID 102564787

Frequently Asked Questions

What is the IUPAC name of 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide (CID 24645329) is 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide is Cc1csc(NC(=O)CCCCC2CCSS2)n1.
What is the InChIKey of 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is ILNZXIVFIHOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS3/c1-9-8-16-12(13-9)14-11(15)5-3-2-4-10-6-7-17-18-10/h8,10H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide?
5-(dithiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 302.49 g/mol, XLogP of 4.10, 6 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-methyl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 24645329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).