tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate

C20H24FN3O3S — CID 67018260

IUPACtert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate
SMILESCc1nc(C(=O)N2CCC2CNC(=O)OC(C)(C)C)c(-c2cccc(F)c2)s1
InChIInChI=1S/C20H24FN3O3S/c1-12-23-16(17(28-12)13-6-5-7-14(21)10-13)18(25)24-9-8-15(24)11-22-19(26)27-20(2,3)4/h5-7,10,15H,8-9,11H2,1-4H3,(H,22,26)
InChIKeyLYLJRPJNINIQCR-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.00
Rot. Bonds4

About tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate

tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate (PubChem CID 67018260) has the molecular formula C20H24FN3O3S and a molecular weight of 405.50 g/mol. Its IUPAC name is tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate
PubChem CID67018260
Molecular FormulaC20H24FN3O3S
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Nametert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate
SMILESCc1nc(C(=O)N2CCC2CNC(=O)OC(C)(C)C)c(-c2cccc(F)c2)s1
InChIInChI=1S/C20H24FN3O3S/c1-12-23-16(17(28-12)13-6-5-7-14(21)10-13)18(25)24-9-8-15(24)11-22-19(26)27-20(2,3)4/h5-7,10,15H,8-9,11H2,1-4H3,(H,22,26)
InChIKeyLYLJRPJNINIQCR-UHFFFAOYSA-N
XLogP4.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methylcarbamic acid
CID 140553017
N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67018176
6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 24996618
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(2R)-1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]acetate
CID 69112413
N-[[(2R)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-1-benzofuran-4-carboxamide
CID 67018139
[(1S,2S,5R)-2-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 68632496
3,5-difluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 10162424
[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67081101
1-[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-hydroxypiperidin-2-yl]ethanone
CID 134408498
[2-[(5,6-difluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[5-(3-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 23146391
N-[[(3S)-2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 24989837
(5-fluoro-1-methylindol-2-yl) N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68613855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate (CID 67018260) is tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate is Cc1nc(C(=O)N2CCC2CNC(=O)OC(C)(C)C)c(-c2cccc(F)c2)s1.
What is the InChIKey of tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate?
The InChIKey is LYLJRPJNINIQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3S/c1-12-23-16(17(28-12)13-6-5-7-14(21)10-13)18(25)24-9-8-15(24)11-22-19(26)27-20(2,3)4/h5-7,10,15H,8-9,11H2,1-4H3,(H,22,26).
What are the key properties of tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate has a molecular weight of 405.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]carbamate is sourced from PubChem (CID 67018260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).