5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol

C10H9F2NOS2 — CID 10879863

IUPAC5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol
SMILESCSC1(O)N=C(c2ccccc2)C(F)(F)S1
InChIInChI=1S/C10H9F2NOS2/c1-15-10(14)13-8(9(11,12)16-10)7-5-3-2-4-6-7/h2-6,14H,1H3
InChIKeyKTPKJPNNCPYEDB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.78
Rot. Bonds2

About 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol

5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol (PubChem CID 10879863) has the molecular formula C10H9F2NOS2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol.

Molecular Properties

Compound Name5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol
PubChem CID10879863
Molecular FormulaC10H9F2NOS2
Molecular Weight261.32 g/mol
Exact Mass261.01
IUPAC Name5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol
SMILESCSC1(O)N=C(c2ccccc2)C(F)(F)S1
InChIInChI=1S/C10H9F2NOS2/c1-15-10(14)13-8(9(11,12)16-10)7-5-3-2-4-6-7/h2-6,14H,1H3
InChIKeyKTPKJPNNCPYEDB-UHFFFAOYSA-N
XLogP2.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Thiazoline, 2-ethyl-2-methyl-4-phenyl-
CID 13738288
2-Benzyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-4-ol
CID 3363949
5,5-Difluoro-4-phenyl-2-prop-2-ynylsulfanyl-1,3-thiazol-2-ol
CID 10891428
2,5,5-Trifluoro-4-phenyl-2-prop-2-ynylsulfanyl-1,3-thiazole
CID 11087417
1-[(5,5-Difluoro-2-hydroxy-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 11120214
1-[(2,5,5-Trifluoro-4-phenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one
CID 11130545
5,5-Dimethyl-4-phenyl-1,3-thiazole-2-thione
CID 12246976
(4R)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
CID 7245177
(4S)-2-benzyl-4-(trifluoromethyl)-5H-1,3-thiazol-4-ol
CID 7746210
2,5,5-Trifluoro-2-methylsulfanyl-4-phenyl-1,3-thiazole
CID 11821447
4-(Trifluoromethyl)-2-phenyl-2-thiazolin-4-ol
CID 15717196
4-(3-fluorophenyl)-5H-1,3-thiazol-2-one
CID 125329718

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol?
The IUPAC name of 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol (CID 10879863) is 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol.
What is the SMILES notation for 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol?
The canonical SMILES for 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol is CSC1(O)N=C(c2ccccc2)C(F)(F)S1.
What is the InChIKey of 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol?
The InChIKey is KTPKJPNNCPYEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NOS2/c1-15-10(14)13-8(9(11,12)16-10)7-5-3-2-4-6-7/h2-6,14H,1H3.
What are the key properties of 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol?
5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol has a molecular weight of 261.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methylsulfanyl-4-phenyl-1,3-thiazol-2-ol is sourced from PubChem (CID 10879863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).