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

C8H12F2N2OS — CID 104857827

IUPAC2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESCc1ncc(CNCC(F)(F)CO)s1
InChIInChI=1S/C8H12F2N2OS/c1-6-12-3-7(14-6)2-11-4-8(9,10)5-13/h3,11,13H,2,4-5H2,1H3
InChIKeyCHABVMCHAXIZAQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.17
Rot. Bonds5

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

2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (PubChem CID 104857827) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
PubChem CID104857827
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
SMILESCc1ncc(CNCC(F)(F)CO)s1
InChIInChI=1S/C8H12F2N2OS/c1-6-12-3-7(14-6)2-11-4-8(9,10)5-13/h3,11,13H,2,4-5H2,1H3
InChIKeyCHABVMCHAXIZAQ-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 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol (CID 104857827) is 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is Cc1ncc(CNCC(F)(F)CO)s1.
What is the InChIKey of 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
The InChIKey is CHABVMCHAXIZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c1-6-12-3-7(14-6)2-11-4-8(9,10)5-13/h3,11,13H,2,4-5H2,1H3.
What are the key properties of 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-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 2,2-difluoro-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 104857827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).