1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

C8H12F2N2OS — CID 103731574

IUPAC1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)C(F)F)n1
InChIInChI=1S/C8H12F2N2OS/c1-5-4-14-7(12-5)3-11-2-6(13)8(9)10/h4,6,8,11,13H,2-3H2,1H3
InChIKeyLBPNLTKNMPLMCW-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.17
Rot. Bonds5

About 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol

1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (PubChem CID 103731574) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
PubChem CID103731574
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
SMILESCc1csc(CNCC(O)C(F)F)n1
InChIInChI=1S/C8H12F2N2OS/c1-5-4-14-7(12-5)3-11-2-6(13)8(9)10/h4,6,8,11,13H,2-3H2,1H3
InChIKeyLBPNLTKNMPLMCW-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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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol (CID 103731574) is 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is Cc1csc(CNCC(O)C(F)F)n1.
What is the InChIKey of 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
The InChIKey is LBPNLTKNMPLMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c1-5-4-14-7(12-5)3-11-2-6(13)8(9)10/h4,6,8,11,13H,2-3H2,1H3.
What are the key properties of 1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol?
1,1-difluoro-3-[(4-methyl-1,3-thiazol-2-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-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103731574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).