1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol

C7H9F3N2OS — CID 103625342

IUPAC1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cscn1)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)6(13)2-11-1-5-3-14-4-12-5/h3-4,6,11,13H,1-2H2
InChIKeyGEFOSWXHBRWUQT-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.16
Rot. Bonds4

About 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol

1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol (PubChem CID 103625342) has the molecular formula C7H9F3N2OS and a molecular weight of 226.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
PubChem CID103625342
Molecular FormulaC7H9F3N2OS
Molecular Weight226.22 g/mol
Exact Mass226.04
IUPAC Name1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
SMILESOC(CNCc1cscn1)C(F)(F)F
InChIInChI=1S/C7H9F3N2OS/c8-7(9,10)6(13)2-11-1-5-3-14-4-12-5/h3-4,6,11,13H,1-2H2
InChIKeyGEFOSWXHBRWUQT-UHFFFAOYSA-N
XLogP1.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-2-ol
CID 111114947
1-cyclopentyl-2-(1,3-thiazol-4-ylmethylamino)ethanol
CID 111425443
2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
1-N-(1,3-thiazol-4-ylmethyl)butane-1,2-diamine
CID 63826093
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 115592463
2,2-diethoxy-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78914468
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 115684309
1-N-(1,3-thiazol-4-ylmethyl)pentane-1,2-diamine
CID 63826089
1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 115523996

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol (CID 103625342) is 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol is OC(CNCc1cscn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol?
The InChIKey is GEFOSWXHBRWUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2OS/c8-7(9,10)6(13)2-11-1-5-3-14-4-12-5/h3-4,6,11,13H,1-2H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol?
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol has a molecular weight of 226.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol is sourced from PubChem (CID 103625342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).