1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol

C7H10F2N2OS — CID 103793274

IUPAC1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cncs1)C(F)F
InChIInChI=1S/C7H10F2N2OS/c8-7(9)6(12)3-10-1-5-2-11-4-13-5/h2,4,6-7,10,12H,1,3H2
InChIKeyILROSAWWAQTSQE-UHFFFAOYSA-N
MW208.23 g/mol
LogP0.86
Rot. Bonds5

About 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol

1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol (PubChem CID 103793274) has the molecular formula C7H10F2N2OS and a molecular weight of 208.23 g/mol. Its IUPAC name is 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
PubChem CID103793274
Molecular FormulaC7H10F2N2OS
Molecular Weight208.23 g/mol
Exact Mass208.05
IUPAC Name1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cncs1)C(F)F
InChIInChI=1S/C7H10F2N2OS/c8-7(9)6(12)3-10-1-5-2-11-4-13-5/h2,4,6-7,10,12H,1,3H2
InChIKeyILROSAWWAQTSQE-UHFFFAOYSA-N
XLogP0.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
2-(2,2-Difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
CID 169181655
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
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
5-Thiazolemethanamine, N-(2,2,2-trifluoroethyl)-
CID 62758473
3,3,3-trifluoro-N-(1,3-thiazol-5-ylmethyl)propan-1-amine
CID 63226466
N-(1,3-thiazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827313
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65804056
4,4,4-trifluoro-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 81434680

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol (CID 103793274) is 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol is OC(CNCc1cncs1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol?
The InChIKey is ILROSAWWAQTSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2OS/c8-7(9)6(12)3-10-1-5-2-11-4-13-5/h2,4,6-7,10,12H,1,3H2.
What are the key properties of 1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol?
1,1-difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol has a molecular weight of 208.23 g/mol, XLogP of 0.86, 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-(1,3-thiazol-5-ylmethylamino)propan-2-ol is sourced from PubChem (CID 103793274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).