5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

C13H12N4OS2 — CID 82431707

IUPAC5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(-c2ccccn2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C13H12N4OS2/c1-2-5-8-10(11-16-17-13(19)18-11)20-12(15-8)9-6-3-4-7-14-9/h3-4,6-7H,2,5H2,1H3,(H,17,19)
InChIKeyDTYVMELOQJFUGO-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.87
Rot. Bonds4

About 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione

5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82431707) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
PubChem CID82431707
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
SMILESCCCc1nc(-c2ccccn2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C13H12N4OS2/c1-2-5-8-10(11-16-17-13(19)18-11)20-12(15-8)9-6-3-4-7-14-9/h3-4,6-7H,2,5H2,1H3,(H,17,19)
InChIKeyDTYVMELOQJFUGO-UHFFFAOYSA-N
XLogP3.87
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-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

Related Compounds

5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432787
5-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428238
5-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428596
5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428626
5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82432111
4-propyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 82431708
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
5-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82425807
5-[2-[2-(dimethylamino)ethyl]-4-ethyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82430663
2,5-dipyridin-2-yl-1,3-thiazol-4-amine
CID 175286369
3-(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)propanoic acid
CID 82428678
3-propyl-5-pyridin-2-yl-1,2-oxazole
CID 89181281

Frequently Asked Questions

What is the IUPAC name of 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione (CID 82431707) is 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is CCCc1nc(-c2ccccn2)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is DTYVMELOQJFUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-2-5-8-10(11-16-17-13(19)18-11)20-12(15-8)9-6-3-4-7-14-9/h3-4,6-7H,2,5H2,1H3,(H,17,19).
What are the key properties of 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione?
5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 304.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82431707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).