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

C18H16FN5O2S — CID 155434531

IUPAC[2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(C(O)c3c(C4CC4F)sc4cncn34)nn2)cc1
InChIInChI=1S/C18H16FN5O2S/c1-26-11-4-2-10(3-5-11)24-8-14(21-22-24)17(25)16-18(12-6-13(12)19)27-15-7-20-9-23(15)16/h2-5,7-9,12-13,17,25H,6H2,1H3
InChIKeyGTFMDVZBHWSXTK-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.89
Rot. Bonds5

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

[2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 155434531) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID155434531
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name[2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2cc(C(O)c3c(C4CC4F)sc4cncn34)nn2)cc1
InChIInChI=1S/C18H16FN5O2S/c1-26-11-4-2-10(3-5-11)24-8-14(21-22-24)17(25)16-18(12-6-13(12)19)27-15-7-20-9-23(15)16/h2-5,7-9,12-13,17,25H,6H2,1H3
InChIKeyGTFMDVZBHWSXTK-UHFFFAOYSA-N
XLogP2.89
TPSA77.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol (CID 155434531) is [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol is COc1ccc(-n2cc(C(O)c3c(C4CC4F)sc4cncn34)nn2)cc1.
What is the InChIKey of [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is GTFMDVZBHWSXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-26-11-4-2-10(3-5-11)24-8-14(21-22-24)17(25)16-18(12-6-13(12)19)27-15-7-20-9-23(15)16/h2-5,7-9,12-13,17,25H,6H2,1H3.
What are the key properties of [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol?
[2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 385.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorocyclopropyl)imidazo[5,1-b][1,3]thiazol-3-yl]-[1-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 155434531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).