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

C10H7F2NS2 — CID 82362772

IUPAC4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione
SMILESCc1sc(=S)[nH]c1-c1cc(F)ccc1F
InChIInChI=1S/C10H7F2NS2/c1-5-9(13-10(14)15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H,13,14)
InChIKeyVCYMOBURAABEMK-UHFFFAOYSA-N
MW243.30 g/mol
LogP4.06
Rot. Bonds1

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

4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione (PubChem CID 82362772) has the molecular formula C10H7F2NS2 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione
PubChem CID82362772
Molecular FormulaC10H7F2NS2
Molecular Weight243.30 g/mol
Exact Mass243.00
IUPAC Name4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione
SMILESCc1sc(=S)[nH]c1-c1cc(F)ccc1F
InChIInChI=1S/C10H7F2NS2/c1-5-9(13-10(14)15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H,13,14)
InChIKeyVCYMOBURAABEMK-UHFFFAOYSA-N
XLogP4.06
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2(3H)-Thiazolethione, 4-phenyl-
CID 3000729
4-(4-Fluorophenyl)-1,3-thiazole-2-thiol
CID 716719
4-(4-Methylphenyl)-1,3-thiazole-2-thiol
CID 820765
5-[(4-fluorophenyl)methyl]-4-methyl-3H-1,3-thiazole-2-thione
CID 4840954
5-Amino-4-phenyl-2(3H)-thiazolethione
CID 3001791
4-[4-(Trifluoromethyl)phenyl]thiazole-2-thiol
CID 21409007
4-(3-fluorophenyl)-3H-1,3-thiazole-2-thione
CID 64309944
4,5-Diphenyl-2-mercaptothiazole
CID 3366532
4-(2-fluorophenyl)-3H-1,3-thiazole-2-thione
CID 64308707
N-methyl-4-fluoro(thiobenzamide)
CID 83390165
4-Trifluoromethyl-6-phenylpyridinethione
CID 106514440
2-Mercapto-5-methyl-4-phenyl-thiazole
CID 12682873

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The IUPAC name of 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione (CID 82362772) is 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione is Cc1sc(=S)[nH]c1-c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
The InChIKey is VCYMOBURAABEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NS2/c1-5-9(13-10(14)15-5)7-4-6(11)2-3-8(7)12/h2-4H,1H3,(H,13,14).
What are the key properties of 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione?
4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione has a molecular weight of 243.30 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-5-methyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 82362772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).