cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione

C17H22N4OS2 — CID 144744126

IUPACcyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione
SMILESCc1noc(C)c1-c1cc(S)c2[nH]c(=S)[nH]c2c1.NC1CCCC1
InChIInChI=1S/C12H11N3OS2.C5H11N/c1-5-10(6(2)16-15-5)7-3-8-11(9(17)4-7)14-12(18)13-8;6-5-3-1-2-4-5/h3-4,17H,1-2H3,(H2,13,14,18);5H,1-4,6H2
InChIKeyWHOJUNKNABWTFB-UHFFFAOYSA-N
MW362.52 g/mol
LogP4.67
Rot. Bonds1

About cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione

cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione (PubChem CID 144744126) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Namecyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione
PubChem CID144744126
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Namecyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione
SMILESCc1noc(C)c1-c1cc(S)c2[nH]c(=S)[nH]c2c1.NC1CCCC1
InChIInChI=1S/C12H11N3OS2.C5H11N/c1-5-10(6(2)16-15-5)7-3-8-11(9(17)4-7)14-12(18)13-8;6-5-3-1-2-4-5/h3-4,17H,1-2H3,(H2,13,14,18);5H,1-4,6H2
InChIKeyWHOJUNKNABWTFB-UHFFFAOYSA-N
XLogP4.67
TPSA83.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione (CID 144744126) is cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione is Cc1noc(C)c1-c1cc(S)c2[nH]c(=S)[nH]c2c1.NC1CCCC1.
What is the InChIKey of cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is WHOJUNKNABWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2.C5H11N/c1-5-10(6(2)16-15-5)7-3-8-11(9(17)4-7)14-12(18)13-8;6-5-3-1-2-4-5/h3-4,17H,1-2H3,(H2,13,14,18);5H,1-4,6H2.
What are the key properties of cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione?
cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 362.52 g/mol, XLogP of 4.67, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanamine;6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-sulfanyl-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 144744126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).