[2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol

C21H16FN5O2S — CID 142621206

IUPAC[2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(C(O)c3c(-c4ccc(F)cc4)sc4cncn34)nn2)cc1
InChIInChI=1S/C21H16FN5O2S/c1-29-16-8-6-15(7-9-16)27-11-17(24-25-27)20(28)19-21(13-2-4-14(22)5-3-13)30-18-10-23-12-26(18)19/h2-12,20,28H,1H3
InChIKeyWVFXSUPCWWQMKT-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.87
Rot. Bonds5

About [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol

[2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 142621206) has the molecular formula C21H16FN5O2S and a molecular weight of 421.46 g/mol. Its IUPAC name is [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID142621206
Molecular FormulaC21H16FN5O2S
Molecular Weight421.46 g/mol
Exact Mass421.10
IUPAC Name[2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(C(O)c3c(-c4ccc(F)cc4)sc4cncn34)nn2)cc1
InChIInChI=1S/C21H16FN5O2S/c1-29-16-8-6-15(7-9-16)27-11-17(24-25-27)20(28)19-21(13-2-4-14(22)5-3-13)30-18-10-23-12-26(18)19/h2-12,20,28H,1H3
InChIKeyWVFXSUPCWWQMKT-UHFFFAOYSA-N
XLogP3.87
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol (CID 142621206) is [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol is COc1ccc(-n2cc(C(O)c3c(-c4ccc(F)cc4)sc4cncn34)nn2)cc1.
What is the InChIKey of [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is WVFXSUPCWWQMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c1-29-16-8-6-15(7-9-16)27-11-17(24-25-27)20(28)19-21(13-2-4-14(22)5-3-13)30-18-10-23-12-26(18)19/h2-12,20,28H,1H3.
What are the key properties of [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
[2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 421.46 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 142621206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).