4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione

C9H10N2S2 — CID 89435576

IUPAC4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione
SMILESCN1C=CC(c2csc(=S)[nH]2)=CC1
InChIInChI=1S/C9H10N2S2/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h2-4,6H,5H2,1H3,(H,10,12)
InChIKeyPORGECXVFFLFHS-UHFFFAOYSA-N
MW210.33 g/mol
LogP2.65
Rot. Bonds1

About 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione

4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione (PubChem CID 89435576) has the molecular formula C9H10N2S2 and a molecular weight of 210.33 g/mol. Its IUPAC name is 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione
PubChem CID89435576
Molecular FormulaC9H10N2S2
Molecular Weight210.33 g/mol
Exact Mass210.03
IUPAC Name4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione
SMILESCN1C=CC(c2csc(=S)[nH]2)=CC1
InChIInChI=1S/C9H10N2S2/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h2-4,6H,5H2,1H3,(H,10,12)
InChIKeyPORGECXVFFLFHS-UHFFFAOYSA-N
XLogP2.65
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione (CID 89435576) is 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione is CN1C=CC(c2csc(=S)[nH]2)=CC1.
What is the InChIKey of 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione?
The InChIKey is PORGECXVFFLFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S2/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h2-4,6H,5H2,1H3,(H,10,12).
What are the key properties of 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione?
4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione has a molecular weight of 210.33 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2H-pyridin-4-yl)-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 89435576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).