5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole

C9H13F2NS — CID 154677558

IUPAC5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole
SMILESCCC(C)(C)C(F)(F)c1ccns1
InChIInChI=1S/C9H13F2NS/c1-4-8(2,3)9(10,11)7-5-6-12-13-7/h5-6H,4H2,1-3H3
InChIKeyDPEVJTQSLUTEHI-UHFFFAOYSA-N
MW205.27 g/mol
LogP3.67
Rot. Bonds3

About 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole

5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole (PubChem CID 154677558) has the molecular formula C9H13F2NS and a molecular weight of 205.27 g/mol. Its IUPAC name is 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole
PubChem CID154677558
Molecular FormulaC9H13F2NS
Molecular Weight205.27 g/mol
Exact Mass205.07
IUPAC Name5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole
SMILESCCC(C)(C)C(F)(F)c1ccns1
InChIInChI=1S/C9H13F2NS/c1-4-8(2,3)9(10,11)7-5-6-12-13-7/h5-6H,4H2,1-3H3
InChIKeyDPEVJTQSLUTEHI-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole?
The IUPAC name of 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole (CID 154677558) is 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole.
What is the SMILES notation for 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole?
The canonical SMILES for 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole is CCC(C)(C)C(F)(F)c1ccns1.
What is the InChIKey of 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole?
The InChIKey is DPEVJTQSLUTEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NS/c1-4-8(2,3)9(10,11)7-5-6-12-13-7/h5-6H,4H2,1-3H3.
What are the key properties of 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole?
5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole has a molecular weight of 205.27 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2,2-dimethylbutyl)-1,2-thiazole is sourced from PubChem (CID 154677558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).