5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole

C7H9F2NS — CID 156672690

IUPAC5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole
SMILESCC(C)C(F)(F)c1cncs1
InChIInChI=1S/C7H9F2NS/c1-5(2)7(8,9)6-3-10-4-11-6/h3-5H,1-2H3
InChIKeyRJJKEWRKZGVFGS-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.89
Rot. Bonds2

About 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole

5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole (PubChem CID 156672690) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole
PubChem CID156672690
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole
SMILESCC(C)C(F)(F)c1cncs1
InChIInChI=1S/C7H9F2NS/c1-5(2)7(8,9)6-3-10-4-11-6/h3-5H,1-2H3
InChIKeyRJJKEWRKZGVFGS-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dipropylthiazole
CID 588151
Thiazole, 5-propyl-
CID 40379
2-Bromo-5-cyclopropyl-1,3-thiazole
CID 45788770
2-Chloro-5-(1,1-difluoroethyl)-1,3-thiazole
CID 155822051
2-Methyl-5-propylthiazole
CID 574547
5-(Propan-2-yl)-1,3-thiazole
CID 18736806
5-(1,1-Dimethylethyl)thiazole
CID 20082057
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 57698657
2-Tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
CID 58305844
5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658
5-(3,3-Dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
CID 59623676

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole (CID 156672690) is 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole is CC(C)C(F)(F)c1cncs1.
What is the InChIKey of 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole?
The InChIKey is RJJKEWRKZGVFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS/c1-5(2)7(8,9)6-3-10-4-11-6/h3-5H,1-2H3.
What are the key properties of 5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole?
5-(1,1-difluoro-2-methylpropyl)-1,3-thiazole has a molecular weight of 177.22 g/mol, XLogP of 2.89, 2 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-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 156672690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).