5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole

C9H13F2NS — CID 170423974

IUPAC5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
SMILESCCC(C)C(F)(F)c1cnc(C)s1
InChIInChI=1S/C9H13F2NS/c1-4-6(2)9(10,11)8-5-12-7(3)13-8/h5-6H,4H2,1-3H3
InChIKeyYGVXVIZMYBTEIK-UHFFFAOYSA-N
MW205.27 g/mol
LogP3.59
Rot. Bonds3

About 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole

5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole (PubChem CID 170423974) has the molecular formula C9H13F2NS and a molecular weight of 205.27 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
PubChem CID170423974
Molecular FormulaC9H13F2NS
Molecular Weight205.27 g/mol
Exact Mass205.07
IUPAC Name5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole
SMILESCCC(C)C(F)(F)c1cnc(C)s1
InChIInChI=1S/C9H13F2NS/c1-4-6(2)9(10,11)8-5-12-7(3)13-8/h5-6H,4H2,1-3H3
InChIKeyYGVXVIZMYBTEIK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Dipropylthiazole
CID 588151
2-Methyl-5-propylthiazole
CID 574547
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365
2-Methyl-5-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 54044065
5-Propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 57698657
2-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736278
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methyl]-5,5,5-trifluoro-2-isocyanopentanenitrile
CID 57736373
5,5,5-Trifluoro-2-isocyano-2-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanenitrile
CID 57736381
2-Tert-butyl-5-(1,1-difluoroethyl)-1,3-thiazole
CID 58305844
1,1,1-Trifluoro-2-(2-propan-2-yl-1,3-thiazol-5-yl)butan-2-ol
CID 58973043
5-(2,2-Dimethylpropyl)-2-fluoro-1,3-thiazole
CID 59623658

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole (CID 170423974) is 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole is CCC(C)C(F)(F)c1cnc(C)s1.
What is the InChIKey of 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole?
The InChIKey is YGVXVIZMYBTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NS/c1-4-6(2)9(10,11)8-5-12-7(3)13-8/h5-6H,4H2,1-3H3.
What are the key properties of 5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole?
5-(1,1-difluoro-2-methylbutyl)-2-methyl-1,3-thiazole has a molecular weight of 205.27 g/mol, XLogP of 3.59, 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-methylbutyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 170423974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).