2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol

C10H7F2NS2 — CID 116885934

IUPAC2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol
SMILESCc1nc(-c2ccc(F)c(F)c2)sc1S
InChIInChI=1S/C10H7F2NS2/c1-5-10(14)15-9(13-5)6-2-3-7(11)8(12)4-6/h2-4,14H,1H3
InChIKeyAEMXSZJVTMUZJZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.69
Rot. Bonds1

About 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol

2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol (PubChem CID 116885934) has the molecular formula C10H7F2NS2 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol
PubChem CID116885934
Molecular FormulaC10H7F2NS2
Molecular Weight243.30 g/mol
Exact Mass243.00
IUPAC Name2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol
SMILESCc1nc(-c2ccc(F)c(F)c2)sc1S
InChIInChI=1S/C10H7F2NS2/c1-5-10(14)15-9(13-5)6-2-3-7(11)8(12)4-6/h2-4,14H,1H3
InChIKeyAEMXSZJVTMUZJZ-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.69
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

2-[2-(3,4-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 116886628
1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287591
2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 116868367
3-chloro-5-(3,4-difluorophenyl)-1,2,4-thiadiazole
CID 102944122
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
2-[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 82801601
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 81440491
methyl 2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 115327916
4-methyl-2-(3-methylthiophen-2-yl)-1,3-thiazole-5-thiol
CID 116885996
2-(3,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 58992623
4-bromo-2-(3,4-difluorophenyl)-1,3-benzothiazol-5-amine
CID 130270172
2-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-4-methyl-1,3-thiazole
CID 118149736

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol?
The IUPAC name of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol (CID 116885934) is 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol is Cc1nc(-c2ccc(F)c(F)c2)sc1S.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol?
The InChIKey is AEMXSZJVTMUZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS2/c1-5-10(14)15-9(13-5)6-2-3-7(11)8(12)4-6/h2-4,14H,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol?
2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol has a molecular weight of 243.30 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-thiol is sourced from PubChem (CID 116885934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).