butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole

C19H26F3NO3S — CID 176565340

IUPACbutane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
SMILESCCCC.CCCOC(C)c1csc(Oc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H16F3NO3S.C4H10/c1-3-8-20-10(2)13-9-23-14(19-13)21-11-4-6-12(7-5-11)22-15(16,17)18;1-3-4-2/h4-7,9-10H,3,8H2,1-2H3;3-4H2,1-2H3
InChIKeyICWFJWYLMSWDIT-UHFFFAOYSA-N
MW405.48 g/mol
LogP7.13
Rot. Bonds8

About butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole

butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole (PubChem CID 176565340) has the molecular formula C19H26F3NO3S and a molecular weight of 405.48 g/mol. Its IUPAC name is butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Namebutane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
PubChem CID176565340
Molecular FormulaC19H26F3NO3S
Molecular Weight405.48 g/mol
Exact Mass405.16
IUPAC Namebutane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
SMILESCCCC.CCCOC(C)c1csc(Oc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H16F3NO3S.C4H10/c1-3-8-20-10(2)13-9-23-14(19-13)21-11-4-6-12(7-5-11)22-15(16,17)18;1-3-4-2/h4-7,9-10H,3,8H2,1-2H3;3-4H2,1-2H3
InChIKeyICWFJWYLMSWDIT-UHFFFAOYSA-N
XLogP7.13
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156013853
4-[(4-Fluorophenyl)methylsulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 46083326
4-(Chloromethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 28354796
4-Methyl-2-phenoxy-1,3-thiazole
CID 12787013
4-[(2,4-Difluorophenyl)sulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 132457794
2-Methyl-2-[[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]-1,3-thiazol-2-yl]sulfanyl]propanoic acid
CID 59759303
4-[(4-Fluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 60645473
4-[(4-Fluorophenoxy)methyl]-1,3-thiazole
CID 60666705
4-[(2-Fluorophenoxy)methyl]-1,3-thiazole
CID 60731083
2-[(2,4-Difluorophenoxy)methyl]-4-methyl-1,3-thiazole
CID 89438588
4-[(2,4-Difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 89438680
4-[[4-(Fluoromethoxy)phenoxy]methyl]-1,3-thiazole
CID 91215594

Frequently Asked Questions

What is the IUPAC name of butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
The IUPAC name of butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole (CID 176565340) is butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole.
What is the SMILES notation for butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
The canonical SMILES for butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole is CCCC.CCCOC(C)c1csc(Oc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
The InChIKey is ICWFJWYLMSWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3S.C4H10/c1-3-8-20-10(2)13-9-23-14(19-13)21-11-4-6-12(7-5-11)22-15(16,17)18;1-3-4-2/h4-7,9-10H,3,8H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole has a molecular weight of 405.48 g/mol, XLogP of 7.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-(1-propoxyethyl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole is sourced from PubChem (CID 176565340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).