[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate

C17H18FN3O2S — CID 66882977

IUPAC[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate
SMILESCc1c(OC(=O)NC(C)(C)C)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3O2S/c1-10-14(23-16(22)20-17(2,3)4)24-15-19-13(9-21(10)15)11-5-7-12(18)8-6-11/h5-9H,1-4H3,(H,20,22)
InChIKeyNCKLZDAGPDWJCN-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.40
Rot. Bonds2

About [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate

[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate (PubChem CID 66882977) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate
PubChem CID66882977
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate
SMILESCc1c(OC(=O)NC(C)(C)C)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C17H18FN3O2S/c1-10-14(23-16(22)20-17(2,3)4)24-15-19-13(9-21(10)15)11-5-7-12(18)8-6-11/h5-9H,1-4H3,(H,20,22)
InChIKeyNCKLZDAGPDWJCN-UHFFFAOYSA-N
XLogP4.40
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate?
The IUPAC name of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate (CID 66882977) is [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate is Cc1c(OC(=O)NC(C)(C)C)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate?
The InChIKey is NCKLZDAGPDWJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-10-14(23-16(22)20-17(2,3)4)24-15-19-13(9-21(10)15)11-5-7-12(18)8-6-11/h5-9H,1-4H3,(H,20,22).
What are the key properties of [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate?
[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate has a molecular weight of 347.42 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 66882977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).