1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol

C16H20F2N2OS — CID 111497164

IUPAC1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol
SMILESCc1nc(C(C)(C)NCC(O)c2ccc(F)c(F)c2)sc1C
InChIInChI=1S/C16H20F2N2OS/c1-9-10(2)22-15(20-9)16(3,4)19-8-14(21)11-5-6-12(17)13(18)7-11/h5-7,14,19,21H,8H2,1-4H3
InChIKeyISFWVKDNKYFQBO-UHFFFAOYSA-N
MW326.41 g/mol
LogP3.60
Rot. Bonds5

About 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol

1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol (PubChem CID 111497164) has the molecular formula C16H20F2N2OS and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol
PubChem CID111497164
Molecular FormulaC16H20F2N2OS
Molecular Weight326.41 g/mol
Exact Mass326.13
IUPAC Name1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol
SMILESCc1nc(C(C)(C)NCC(O)c2ccc(F)c(F)c2)sc1C
InChIInChI=1S/C16H20F2N2OS/c1-9-10(2)22-15(20-9)16(3,4)19-8-14(21)11-5-6-12(17)13(18)7-11/h5-7,14,19,21H,8H2,1-4H3
InChIKeyISFWVKDNKYFQBO-UHFFFAOYSA-N
XLogP3.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol with MolForge

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Related Compounds

2-[[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-N,N,2-trimethylpropanamide
CID 96547825
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1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
2-(4-chloroanilino)-1-(3,4-difluorophenyl)ethanol
CID 60898138
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-(1-cyclobutylethylamino)-1-(3,4-difluorophenyl)ethanol
CID 113260051
(1R)-1-(3,4-difluorophenyl)propan-1-ol;(1S)-1-(3,4-difluorophenyl)propan-1-ol
CID 159931966
(1R)-1-(3,4-difluorophenyl)propan-1-ol
CID 58995112
1-(3,4-difluorophenyl)-2-(prop-2-ynylamino)ethanol
CID 60903531
(3S)-N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 97073729
1-(3,4-difluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115589638

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol (CID 111497164) is 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol is Cc1nc(C(C)(C)NCC(O)c2ccc(F)c(F)c2)sc1C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
The InChIKey is ISFWVKDNKYFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2OS/c1-9-10(2)22-15(20-9)16(3,4)19-8-14(21)11-5-6-12(17)13(18)7-11/h5-7,14,19,21H,8H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol?
1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol has a molecular weight of 326.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylamino]ethanol is sourced from PubChem (CID 111497164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).