2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol

C11H11NS2 — CID 116889620

IUPAC2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
SMILESCc1ccc(-c2nc(S)cs2)c(C)c1
InChIInChI=1S/C11H11NS2/c1-7-3-4-9(8(2)5-7)11-12-10(13)6-14-11/h3-6,13H,1-2H3
InChIKeyGOFMOFZWTZVEPB-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.72
Rot. Bonds1

About 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol

2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol (PubChem CID 116889620) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
PubChem CID116889620
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
SMILESCc1ccc(-c2nc(S)cs2)c(C)c1
InChIInChI=1S/C11H11NS2/c1-7-3-4-9(8(2)5-7)11-12-10(13)6-14-11/h3-6,13H,1-2H3
InChIKeyGOFMOFZWTZVEPB-UHFFFAOYSA-N
XLogP3.72
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-thiol
CID 116889667
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891287
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
4-(2,4-dimethylphenyl)-2-methoxy-1,3-thiazole
CID 116967726
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
2-(2,4-dimethylphenyl)-N-(4-hydroxycyclohexyl)-1,3-thiazole-4-carboxamide
CID 110909676
N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 95778148

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol (CID 116889620) is 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol is Cc1ccc(-c2nc(S)cs2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol?
The InChIKey is GOFMOFZWTZVEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-7-3-4-9(8(2)5-7)11-12-10(13)6-14-11/h3-6,13H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol?
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol has a molecular weight of 221.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol is sourced from PubChem (CID 116889620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).