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

C6H7BrF2N2OS — CID 106171982

IUPAC3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1nc(Br)cs1
InChIInChI=1S/C6H7BrF2N2OS/c7-4-1-13-5(11-4)10-2-6(8,9)3-12/h1,12H,2-3H2,(H,10,11)
InChIKeyXCYFGZMFGKPKFE-UHFFFAOYSA-N
MW273.10 g/mol
LogP1.95
Rot. Bonds4

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

3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106171982) has the molecular formula C6H7BrF2N2OS and a molecular weight of 273.10 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
PubChem CID106171982
Molecular FormulaC6H7BrF2N2OS
Molecular Weight273.10 g/mol
Exact Mass271.94
IUPAC Name3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1nc(Br)cs1
InChIInChI=1S/C6H7BrF2N2OS/c7-4-1-13-5(11-4)10-2-6(8,9)3-12/h1,12H,2-3H2,(H,10,11)
InChIKeyXCYFGZMFGKPKFE-UHFFFAOYSA-N
XLogP1.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol (CID 106171982) is 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNc1nc(Br)cs1.
What is the InChIKey of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is XCYFGZMFGKPKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF2N2OS/c7-4-1-13-5(11-4)10-2-6(8,9)3-12/h1,12H,2-3H2,(H,10,11).
What are the key properties of 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol?
3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 273.10 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-thiazol-2-yl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106171982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).