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

C8H12F2N2OS — CID 104858596

IUPAC3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1csc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H12F2N2OS/c1-2-6-3-14-7(12-6)11-4-8(9,10)5-13/h3,13H,2,4-5H2,1H3,(H,11,12)
InChIKeyMYDQXQNRWFRXOE-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.75
Rot. Bonds5

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

3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 104858596) has the molecular formula C8H12F2N2OS and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID104858596
Molecular FormulaC8H12F2N2OS
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESCCc1csc(NCC(F)(F)CO)n1
InChIInChI=1S/C8H12F2N2OS/c1-2-6-3-14-7(12-6)11-4-8(9,10)5-13/h3,13H,2,4-5H2,1H3,(H,11,12)
InChIKeyMYDQXQNRWFRXOE-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (CID 104858596) is 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is CCc1csc(NCC(F)(F)CO)n1.
What is the InChIKey of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is MYDQXQNRWFRXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2OS/c1-2-6-3-14-7(12-6)11-4-8(9,10)5-13/h3,13H,2,4-5H2,1H3,(H,11,12).
What are the key properties of 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 222.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).