1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol

C20H20F2N2O2S — CID 118443740

IUPAC1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(-c2ccc(OC(F)F)cc2)cn1)c1cncs1
InChIInChI=1S/C20H20F2N2O2S/c1-19(2,3)20(25,17-11-23-12-27-17)16-9-6-14(10-24-16)13-4-7-15(8-5-13)26-18(21)22/h4-12,18,25H,1-3H3
InChIKeyMLUFQHFMKMCMHF-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.09
Rot. Bonds5

About 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol

1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol (PubChem CID 118443740) has the molecular formula C20H20F2N2O2S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol
PubChem CID118443740
Molecular FormulaC20H20F2N2O2S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol
SMILESCC(C)(C)C(O)(c1ccc(-c2ccc(OC(F)F)cc2)cn1)c1cncs1
InChIInChI=1S/C20H20F2N2O2S/c1-19(2,3)20(25,17-11-23-12-27-17)16-9-6-14(10-24-16)13-4-7-15(8-5-13)26-18(21)22/h4-12,18,25H,1-3H3
InChIKeyMLUFQHFMKMCMHF-UHFFFAOYSA-N
XLogP5.09
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-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

Related Compounds

1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443397
2,2-dimethyl-1-pyrazin-2-yl-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-1-ol
CID 118443851
2,2-dimethyl-1-pyrimidin-5-yl-1-(5-pyrimidin-5-yl-2-pyridinyl)propan-1-ol
CID 118443761
1-[5-(4-chlorophenyl)-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443721
1-[5-[4-(methoxymethyl)phenyl]-2-pyridinyl]-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 118443758
5-(difluoromethoxy)-1,3-thiazole
CID 154460414
2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-1-pyrimidin-5-ylpropan-1-ol
CID 118443767
2-[4-(difluoromethoxy)phenyl]-5-methylpyrimidine
CID 19436135
2-[4-[4-(difluoromethoxy)phenyl]phenyl]-5-ethylpyrimidine
CID 15114080
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
2-[4-(difluoromethoxy)phenyl]-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine
CID 66780360

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol (CID 118443740) is 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol is CC(C)(C)C(O)(c1ccc(-c2ccc(OC(F)F)cc2)cn1)c1cncs1.
What is the InChIKey of 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is MLUFQHFMKMCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2S/c1-19(2,3)20(25,17-11-23-12-27-17)16-9-6-14(10-24-16)13-4-7-15(8-5-13)26-18(21)22/h4-12,18,25H,1-3H3.
What are the key properties of 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol?
1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 390.46 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(difluoromethoxy)phenyl]-2-pyridinyl]-2,2-dimethyl-1-(1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 118443740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).