3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione

C10H10N2S2 — CID 118671589

IUPAC3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(C)c1-c1cccnc1
InChIInChI=1S/C10H10N2S2/c1-7-9(12(2)10(13)14-7)8-4-3-5-11-6-8/h3-6H,1-2H3
InChIKeyYSEFLMFYAHCQPN-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.19
Rot. Bonds1

About 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione

3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione (PubChem CID 118671589) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione
PubChem CID118671589
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione
SMILESCc1sc(=S)n(C)c1-c1cccnc1
InChIInChI=1S/C10H10N2S2/c1-7-9(12(2)10(13)14-7)8-4-3-5-11-6-8/h3-6H,1-2H3
InChIKeyYSEFLMFYAHCQPN-UHFFFAOYSA-N
XLogP3.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione?
The IUPAC name of 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione (CID 118671589) is 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione.
What is the SMILES notation for 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione?
The canonical SMILES for 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione is Cc1sc(=S)n(C)c1-c1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione?
The InChIKey is YSEFLMFYAHCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-7-9(12(2)10(13)14-7)8-4-3-5-11-6-8/h3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione?
3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione has a molecular weight of 222.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pyridin-3-yl-1,3-thiazole-2-thione is sourced from PubChem (CID 118671589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).