ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol

C20H30F3NOS — CID 143433872

IUPACethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol
SMILESCC.CC.CCCCC(O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C16H18F3NOS.2C2H6/c1-3-4-5-13(21)14-10(2)20-15(22-14)11-6-8-12(9-7-11)16(17,18)19;2*1-2/h6-9,13,21H,3-5H2,1-2H3;2*1-2H3
InChIKeyAGYNQBZQJCFUHV-UHFFFAOYSA-N
MW389.53 g/mol
LogP7.41
Rot. Bonds5

About ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol

ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol (PubChem CID 143433872) has the molecular formula C20H30F3NOS and a molecular weight of 389.53 g/mol. Its IUPAC name is ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol.

Molecular Properties

Compound Nameethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol
PubChem CID143433872
Molecular FormulaC20H30F3NOS
Molecular Weight389.53 g/mol
Exact Mass389.20
IUPAC Nameethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol
SMILESCC.CC.CCCCC(O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C16H18F3NOS.2C2H6/c1-3-4-5-13(21)14-10(2)20-15(22-14)11-6-8-12(9-7-11)16(17,18)19;2*1-2/h6-9,13,21H,3-5H2,1-2H3;2*1-2H3
InChIKeyAGYNQBZQJCFUHV-UHFFFAOYSA-N
XLogP7.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.53
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
2-fluoro-4-[2-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]hexyl]benzonitrile
CID 59556307
4-methyl-5-(1-nitrosoethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 162549290
3-(dimethylamino)-1-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]propan-1-ol
CID 82105043
3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-1-ol
CID 23614487
ethane;1-[4-[4-(trifluoromethyl)phenyl]phenyl]heptan-1-ol
CID 143149816
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2783006
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]boronic acid
CID 67450720
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propyl 2-phenylpropanoate
CID 21051239
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 152502733
N,4-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboximidate
CID 59280725

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol?
The IUPAC name of ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol (CID 143433872) is ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol.
What is the SMILES notation for ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol?
The canonical SMILES for ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol is CC.CC.CCCCC(O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol?
The InChIKey is AGYNQBZQJCFUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NOS.2C2H6/c1-3-4-5-13(21)14-10(2)20-15(22-14)11-6-8-12(9-7-11)16(17,18)19;2*1-2/h6-9,13,21H,3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol?
ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol has a molecular weight of 389.53 g/mol, XLogP of 7.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-1-ol is sourced from PubChem (CID 143433872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).