1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol

C8H12F2N2OS — CID 103731527

IUPAC1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C8H12F2N2OS/c1-5-12-3-6(14-5)2-11-4-7(13)8(9)10/h3,7-8,11,13H,2,4H2,1H3
InChIKeyWHRASKGMNWFWFE-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.17
Rot. Bonds5

About 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol

1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol (PubChem CID 103731527) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
PubChem CID103731527
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
SMILESCc1ncc(CNCC(O)C(F)F)s1
InChIInChI=1S/C8H12F2N2OS/c1-5-12-3-6(14-5)2-11-4-7(13)8(9)10/h3,7-8,11,13H,2,4H2,1H3
InChIKeyWHRASKGMNWFWFE-UHFFFAOYSA-N
XLogP1.17
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
Ethane;[5-(trifluoromethyl)-1,3-thiazol-2-yl]methanol
CID 166088272
Methanol;[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 176941473
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 60983252
2,2-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61281215
N-methyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
CID 61392587
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61392600
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61392601
N-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61392602
1,1,1-Trifluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 61530214
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61686940

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol (CID 103731527) is 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol is Cc1ncc(CNCC(O)C(F)F)s1.
What is the InChIKey of 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
The InChIKey is WHRASKGMNWFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c1-5-12-3-6(14-5)2-11-4-7(13)8(9)10/h3,7-8,11,13H,2,4H2,1H3.
What are the key properties of 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol has a molecular weight of 222.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103731527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).