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

C8H11F2NS — CID 170413439

IUPAC5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C(F)(F)C(C)C)s1
InChIInChI=1S/C8H11F2NS/c1-5(2)8(9,10)7-4-11-6(3)12-7/h4-5H,1-3H3
InChIKeyWLUUQKPNBNEQSO-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.20
Rot. Bonds2

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

5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole (PubChem CID 170413439) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole
PubChem CID170413439
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C(F)(F)C(C)C)s1
InChIInChI=1S/C8H11F2NS/c1-5(2)8(9,10)7-4-11-6(3)12-7/h4-5H,1-3H3
InChIKeyWLUUQKPNBNEQSO-UHFFFAOYSA-N
XLogP3.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.20
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
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
2-Propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 58755001

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole (CID 170413439) is 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole is Cc1ncc(C(F)(F)C(C)C)s1.
What is the InChIKey of 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole?
The InChIKey is WLUUQKPNBNEQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-5(2)8(9,10)7-4-11-6(3)12-7/h4-5H,1-3H3.
What are the key properties of 5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole?
5-(1,1-difluoro-2-methylpropyl)-2-methyl-1,3-thiazole has a molecular weight of 191.25 g/mol, XLogP of 3.20, 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)-2-methyl-1,3-thiazole is sourced from PubChem (CID 170413439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).