2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol

C60H69Br4F9N5O7P3S4 — CID 160850768

IUPAC2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
SMILESBrCCBr.C#CC#CC.CC#CC.CC(N)=S.FC(F)(F)c1nc(-c2ccccc2OCCBr)cs1.NCCO.O=C(CBr)c1ccccc1O.OCCCCCOc1ccccc1-c1csc(C(F)(F)F)n1.Oc1ccccc1-c1csc(C(F)(F)F)n1.PPP
InChIInChI=1S/C15H16F3NO2S.C12H9BrF3NOS.C10H6F3NOS.C8H7BrO2.C5H4.C4H6.C2H4Br2.C2H7NO.C2H5NS.H5P3/c16-15(17,18)14-19-12(10-22-14)11-6-2-3-7-13(11)21-9-5-1-4-8-20;13-5-6-18-10-4-2-1-3-8(10)9-7-19-11(17-9)12(14,15)16;11-10(12,13)9-14-7(5-16-9)6-3-1-2-4-8(6)15;9-5-8(11)6-3-1-2-4-7(6)10;1-3-5-4-2;1-3-4-2;2*3-1-2-4;1-2(3)4;1-3-2/h2-3,6-7,10,20H,1,4-5,8-9H2;1-4,7H,5-6H2;1-5,15H;1-4,10H,5H2;1H,2H3;1-2H3;1-2H2;4H,1-3H2;1H3,(H2,3,4);3H,1-2H2
InChIKeySJFQIWSOFGEKKB-UHFFFAOYSA-N
MW1684.03 g/mol
LogP18.40
Rot. Bonds16

About 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol

2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol (PubChem CID 160850768) has the molecular formula C60H69Br4F9N5O7P3S4 and a molecular weight of 1684.03 g/mol. Its IUPAC name is 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
PubChem CID160850768
Molecular FormulaC60H69Br4F9N5O7P3S4
Molecular Weight1684.03 g/mol
Exact Mass1678.99
IUPAC Name2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
SMILESBrCCBr.C#CC#CC.CC#CC.CC(N)=S.FC(F)(F)c1nc(-c2ccccc2OCCBr)cs1.NCCO.O=C(CBr)c1ccccc1O.OCCCCCOc1ccccc1-c1csc(C(F)(F)F)n1.Oc1ccccc1-c1csc(C(F)(F)F)n1.PPP
InChIInChI=1S/C15H16F3NO2S.C12H9BrF3NOS.C10H6F3NOS.C8H7BrO2.C5H4.C4H6.C2H4Br2.C2H7NO.C2H5NS.H5P3/c16-15(17,18)14-19-12(10-22-14)11-6-2-3-7-13(11)21-9-5-1-4-8-20;13-5-6-18-10-4-2-1-3-8(10)9-7-19-11(17-9)12(14,15)16;11-10(12,13)9-14-7(5-16-9)6-3-1-2-4-8(6)15;9-5-8(11)6-3-1-2-4-7(6)10;1-3-5-4-2;1-3-4-2;2*3-1-2-4;1-2(3)4;1-3-2/h2-3,6-7,10,20H,1,4-5,8-9H2;1-4,7H,5-6H2;1-5,15H;1-4,10H,5H2;1H,2H3;1-2H3;1-2H2;4H,1-3H2;1H3,(H2,3,4);3H,1-2H2
InChIKeySJFQIWSOFGEKKB-UHFFFAOYSA-N
XLogP18.40
TPSA207.16 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001684.03
LogP ≤ 518.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol with MolForge

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Related Compounds

5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol
CID 160850769
2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
CID 28864574
4-[2-(3-aminopropoxy)phenyl]-1,3-thiazol-2-amine
CID 28857982
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792
4-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967635
2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61338431
11-[2-[2-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 139835438
N-(2-aminoethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetamide
CID 39163001
2-(16-hydroxyhexadecoxy)benzoic acid
CID 139706131
3-[[2-(2-methyl-1,3-thiazol-4-yl)phenoxy]methyl]benzoic acid
CID 83967634
11-(2-methylphenoxy)undecan-1-ol
CID 123672662

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
The IUPAC name of 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol (CID 160850768) is 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol.
What is the SMILES notation for 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
The canonical SMILES for 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol is BrCCBr.C#CC#CC.CC#CC.CC(N)=S.FC(F)(F)c1nc(-c2ccccc2OCCBr)cs1.NCCO.O=C(CBr)c1ccccc1O.OCCCCCOc1ccccc1-c1csc(C(F)(F)F)n1.Oc1ccccc1-c1csc(C(F)(F)F)n1.PPP.
What is the InChIKey of 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
The InChIKey is SJFQIWSOFGEKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2S.C12H9BrF3NOS.C10H6F3NOS.C8H7BrO2.C5H4.C4H6.C2H4Br2.C2H7NO.C2H5NS.H5P3/c16-15(17,18)14-19-12(10-22-14)11-6-2-3-7-13(11)21-9-5-1-4-8-20;13-5-6-18-10-4-2-1-3-8(10)9-7-19-11(17-9)12(14,15)16;11-10(12,13)9-14-7(5-16-9)6-3-1-2-4-8(6)15;9-5-8(11)6-3-1-2-4-7(6)10;1-3-5-4-2;1-3-4-2;2*3-1-2-4;1-2(3)4;1-3-2/h2-3,6-7,10,20H,1,4-5,8-9H2;1-4,7H,5-6H2;1-5,15H;1-4,10H,5H2;1H,2H3;1-2H3;1-2H2;4H,1-3H2;1H3,(H2,3,4);3H,1-2H2.
What are the key properties of 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol?
2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol has a molecular weight of 1684.03 g/mol, XLogP of 18.40, 16 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;bis(phosphanyl)phosphane;4-[2-(2-bromoethoxy)phenyl]-2-(trifluoromethyl)-1,3-thiazole;2-bromo-1-(2-hydroxyphenyl)ethanone;but-2-yne;1,2-dibromoethane;ethanethioamide;penta-1,3-diyne;2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenol;5-[2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenoxy]pentan-1-ol is sourced from PubChem (CID 160850768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).