4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione

C8H9N3S2 — CID 25143091

IUPAC4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione
SMILESCc1nc(C)c(-c2c[nH]c(=S)[nH]2)s1
InChIInChI=1S/C8H9N3S2/c1-4-7(13-5(2)10-4)6-3-9-8(12)11-6/h3H,1-2H3,(H2,9,11,12)
InChIKeyIQLAXIPPNQPWJP-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.81
Rot. Bonds1

About 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione

4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 25143091) has the molecular formula C8H9N3S2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione
PubChem CID25143091
Molecular FormulaC8H9N3S2
Molecular Weight211.31 g/mol
Exact Mass211.02
IUPAC Name4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione
SMILESCc1nc(C)c(-c2c[nH]c(=S)[nH]2)s1
InChIInChI=1S/C8H9N3S2/c1-4-7(13-5(2)10-4)6-3-9-8(12)11-6/h3H,1-2H3,(H2,9,11,12)
InChIKeyIQLAXIPPNQPWJP-UHFFFAOYSA-N
XLogP2.81
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
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-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione (CID 25143091) is 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione is Cc1nc(C)c(-c2c[nH]c(=S)[nH]2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is IQLAXIPPNQPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S2/c1-4-7(13-5(2)10-4)6-3-9-8(12)11-6/h3H,1-2H3,(H2,9,11,12).
What are the key properties of 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione?
4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 211.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25143091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).