2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole

C6H6F3NS2 — CID 130754692

IUPAC2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole
SMILESCC(Sc1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NS2/c1-4(6(7,8)9)12-5-10-2-3-11-5/h2-4H,1H3
InChIKeyOMBFZNRZPRXOFQ-UHFFFAOYSA-N
MW213.25 g/mol
LogP3.19
Rot. Bonds2

About 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole

2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole (PubChem CID 130754692) has the molecular formula C6H6F3NS2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole
PubChem CID130754692
Molecular FormulaC6H6F3NS2
Molecular Weight213.25 g/mol
Exact Mass212.99
IUPAC Name2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole
SMILESCC(Sc1nccs1)C(F)(F)F
InChIInChI=1S/C6H6F3NS2/c1-4(6(7,8)9)12-5-10-2-3-11-5/h2-4H,1H3
InChIKeyOMBFZNRZPRXOFQ-UHFFFAOYSA-N
XLogP3.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethylsulfanyl)-1,3-thiazole
CID 173363309
2-(2-bromo-3,3,3-trifluoropropyl)sulfanyl-1,3-thiazole
CID 64758728
3-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 61220077
tert-butyl 2-(1,3-thiazol-2-ylsulfanyl)propanoate
CID 64686501
2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
CID 62580662
N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62581020
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
N'-hydroxy-3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61218176
2-(1,3-thiazol-2-yltetrasulfanyl)-1,3-thiazole
CID 141178698
3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61219315
2-[2-(trifluoromethyl)phenyl]sulfanyl-1,3-thiazole;hydrochloride
CID 22155981

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole?
The IUPAC name of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole (CID 130754692) is 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole?
The canonical SMILES for 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole is CC(Sc1nccs1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole?
The InChIKey is OMBFZNRZPRXOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NS2/c1-4(6(7,8)9)12-5-10-2-3-11-5/h2-4H,1H3.
What are the key properties of 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole?
2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole has a molecular weight of 213.25 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 130754692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).