4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one

C7H9F3N2O2S — CID 106380793

IUPAC4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)C(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2O2S/c8-7(9,10)5(13)2-11-1-4-3-15-6(14)12-4/h3,5,11,13H,1-2H2,(H,12,14)
InChIKeyWHARFYKFQGLSEB-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.45
Rot. Bonds4

About 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380793) has the molecular formula C7H9F3N2O2S and a molecular weight of 242.22 g/mol. Its IUPAC name is 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380793
Molecular FormulaC7H9F3N2O2S
Molecular Weight242.22 g/mol
Exact Mass242.03
IUPAC Name4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC(O)C(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2O2S/c8-7(9,10)5(13)2-11-1-4-3-15-6(14)12-4/h3,5,11,13H,1-2H2,(H,12,14)
InChIKeyWHARFYKFQGLSEB-UHFFFAOYSA-N
XLogP0.45
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 103770099
4-[[2-(trifluoromethoxy)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 106381127
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113248474
4-[(2-hydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380675
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380692
4-[(2,3-dihydroxypropylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380712
4-[(3-hydroxybutan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380729
4-[(2-hydroxybutylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380827
4-[(2-hydroxyethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106380876
4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380901
4-[[[(2S)-2,3-dihydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380922
4-[[[(2S)-2-hydroxypropyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106381062

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380793) is 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC(O)C(F)(F)F)cs1.
What is the InChIKey of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WHARFYKFQGLSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S/c8-7(9,10)5(13)2-11-1-4-3-15-6(14)12-4/h3,5,11,13H,1-2H2,(H,12,14).
What are the key properties of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 242.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).