3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole

C7H11F2NS — CID 173055787

IUPAC3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1SC=CN1C(F)F
InChIInChI=1S/C7H11F2NS/c1-5(2)6-10(7(8)9)3-4-11-6/h3-7H,1-2H3
InChIKeyPZDGLORCIMGUPR-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.71
Rot. Bonds2

About 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole

3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole (PubChem CID 173055787) has the molecular formula C7H11F2NS and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole
PubChem CID173055787
Molecular FormulaC7H11F2NS
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC Name3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole
SMILESCC(C)C1SC=CN1C(F)F
InChIInChI=1S/C7H11F2NS/c1-5(2)6-10(7(8)9)3-4-11-6/h3-7H,1-2H3
InChIKeyPZDGLORCIMGUPR-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole?
The IUPAC name of 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole (CID 173055787) is 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole.
What is the SMILES notation for 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole?
The canonical SMILES for 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole is CC(C)C1SC=CN1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole?
The InChIKey is PZDGLORCIMGUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NS/c1-5(2)6-10(7(8)9)3-4-11-6/h3-7H,1-2H3.
What are the key properties of 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole?
3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole has a molecular weight of 179.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-propan-2-yl-2H-1,3-thiazole is sourced from PubChem (CID 173055787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).