tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate

C22H23FN6O3S — CID 142621225

IUPACtert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1
InChIInChI=1S/C22H23FN6O3S/c1-22(2,3)32-21(31)25-13-6-7-16(14(23)8-13)29-10-15(26-27-29)19(30)18-20(12-4-5-12)33-17-9-24-11-28(17)18/h6-12,19,30H,4-5H2,1-3H3,(H,25,31)
InChIKeyAQWOLGVWEQAUFB-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.42
Rot. Bonds5

About tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate

tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate (PubChem CID 142621225) has the molecular formula C22H23FN6O3S and a molecular weight of 470.53 g/mol. Its IUPAC name is tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate
PubChem CID142621225
Molecular FormulaC22H23FN6O3S
Molecular Weight470.53 g/mol
Exact Mass470.15
IUPAC Nametert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1
InChIInChI=1S/C22H23FN6O3S/c1-22(2,3)32-21(31)25-13-6-7-16(14(23)8-13)29-10-15(26-27-29)19(30)18-20(12-4-5-12)33-17-9-24-11-28(17)18/h6-12,19,30H,4-5H2,1-3H3,(H,25,31)
InChIKeyAQWOLGVWEQAUFB-UHFFFAOYSA-N
XLogP4.42
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate with MolForge

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Related Compounds

CID 142621196
CID 142621196
CID 142621124
CID 142621124
CID 142621146
CID 142621146
CID 142621166
CID 142621166
CID 142621170
CID 142621170
CID 142621228
CID 142621228
CID 142621279
CID 142621279
CID 142621286
CID 142621286
CID 142621340
CID 142621340
CID 142621459
CID 142621459
CID 152316412
CID 152316412
CID 155434531
CID 155434531

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate (CID 142621225) is tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-n2cc(C(O)c3c(C4CC4)sc4cncn34)nn2)c(F)c1.
What is the InChIKey of tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate?
The InChIKey is AQWOLGVWEQAUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3S/c1-22(2,3)32-21(31)25-13-6-7-16(14(23)8-13)29-10-15(26-27-29)19(30)18-20(12-4-5-12)33-17-9-24-11-28(17)18/h6-12,19,30H,4-5H2,1-3H3,(H,25,31).
What are the key properties of tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate?
tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate has a molecular weight of 470.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-3-fluorophenyl]carbamate is sourced from PubChem (CID 142621225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).