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

C15H18F2N2OS — CID 61192642

IUPAC1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol
SMILESCc1nc(C)c(C(C)NCC(O)c2ccc(F)cc2F)s1
InChIInChI=1S/C15H18F2N2OS/c1-8(15-9(2)19-10(3)21-15)18-7-14(20)12-5-4-11(16)6-13(12)17/h4-6,8,14,18,20H,7H2,1-3H3
InChIKeyOVSSLWJDCURPKX-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.42
Rot. Bonds5

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

1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol (PubChem CID 61192642) has the molecular formula C15H18F2N2OS and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol
PubChem CID61192642
Molecular FormulaC15H18F2N2OS
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol
SMILESCc1nc(C)c(C(C)NCC(O)c2ccc(F)cc2F)s1
InChIInChI=1S/C15H18F2N2OS/c1-8(15-9(2)19-10(3)21-15)18-7-14(20)12-5-4-11(16)6-13(12)17/h4-6,8,14,18,20H,7H2,1-3H3
InChIKeyOVSSLWJDCURPKX-UHFFFAOYSA-N
XLogP3.42
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81348797
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,4-difluoroaniline
CID 63751891
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
1-(2,4-difluorophenyl)-2-(5-methylhexan-2-ylamino)ethanol
CID 60979913
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-1-(2,4-difluorophenyl)ethanol
CID 81382557
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]ethanol
CID 110897338

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol (CID 61192642) is 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol is Cc1nc(C)c(C(C)NCC(O)c2ccc(F)cc2F)s1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol?
The InChIKey is OVSSLWJDCURPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2OS/c1-8(15-9(2)19-10(3)21-15)18-7-14(20)12-5-4-11(16)6-13(12)17/h4-6,8,14,18,20H,7H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol?
1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol has a molecular weight of 312.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethanol is sourced from PubChem (CID 61192642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).