3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol

C8H12F2N2OS — CID 104858584

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1nc(NCC(F)(F)CO)sc1C
InChIInChI=1S/C8H12F2N2OS/c1-5-6(2)14-7(12-5)11-3-8(9,10)4-13/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyLULWZJWYICKWJU-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.80
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104858584) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104858584
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESCc1nc(NCC(F)(F)CO)sc1C
InChIInChI=1S/C8H12F2N2OS/c1-5-6(2)14-7(12-5)11-3-8(9,10)4-13/h13H,3-4H2,1-2H3,(H,11,12)
InChIKeyLULWZJWYICKWJU-UHFFFAOYSA-N
XLogP1.80
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (CID 104858584) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is Cc1nc(NCC(F)(F)CO)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is LULWZJWYICKWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c1-5-6(2)14-7(12-5)11-3-8(9,10)4-13/h13H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 222.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).