2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole

C9H12F3NS — CID 163762677

IUPAC2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
SMILESCc1ncc(CC(C)(C)C(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-6-13-5-7(14-6)4-8(2,3)9(10,11)12/h5H,4H2,1-3H3
InChIKeyDEBWJDOJOSJNSP-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.58
Rot. Bonds2

About 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole

2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole (PubChem CID 163762677) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
PubChem CID163762677
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole
SMILESCc1ncc(CC(C)(C)C(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-6-13-5-7(14-6)4-8(2,3)9(10,11)12/h5H,4H2,1-3H3
InChIKeyDEBWJDOJOSJNSP-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.58
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-Methyl-5-propylthiazole
CID 574547
5-Tert-butyl-2-methyl-1,3-thiazole
CID 20737594
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
The IUPAC name of 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole (CID 163762677) is 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole is Cc1ncc(CC(C)(C)C(F)(F)F)s1.
What is the InChIKey of 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
The InChIKey is DEBWJDOJOSJNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-6-13-5-7(14-6)4-8(2,3)9(10,11)12/h5H,4H2,1-3H3.
What are the key properties of 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole?
2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole has a molecular weight of 223.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole is sourced from PubChem (CID 163762677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).