tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate

C18H22N4O3S — CID 154794125

IUPACtert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CNc2cccc(N3CCC3=O)c2)s1
InChIInChI=1S/C18H22N4O3S/c1-18(2,3)25-17(24)21-16-20-11-14(26-16)10-19-12-5-4-6-13(9-12)22-8-7-15(22)23/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,20,21,24)
InChIKeyQHHKJGRXJQHEDZ-UHFFFAOYSA-N
MW374.47 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 154794125) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate
PubChem CID154794125
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Nametert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ncc(CNc2cccc(N3CCC3=O)c2)s1
InChIInChI=1S/C18H22N4O3S/c1-18(2,3)25-17(24)21-16-20-11-14(26-16)10-19-12-5-4-6-13(9-12)22-8-7-15(22)23/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,20,21,24)
InChIKeyQHHKJGRXJQHEDZ-UHFFFAOYSA-N
XLogP3.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]phenyl]carbamate
CID 46556759
tert-butyl N-[5-[[[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methylamino]methyl]-1,3-thiazol-2-yl]carbamate
CID 167759698
tert-butyl N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168506919
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]acetate
CID 22349665
tert-butyl N-[5-[[[4-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-1,3-thiazol-2-yl]carbamate
CID 100629934
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
tert-butyl 4-[[3-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenoxy]methyl]piperidine-1-carboxylate
CID 168580839
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
CID 113256308
tert-butyl N-[3-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]phenyl]carbamate
CID 168669594
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168692932

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate (CID 154794125) is tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1ncc(CNc2cccc(N3CCC3=O)c2)s1.
What is the InChIKey of tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is QHHKJGRXJQHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-18(2,3)25-17(24)21-16-20-11-14(26-16)10-19-12-5-4-6-13(9-12)22-8-7-15(22)23/h4-6,9,11,19H,7-8,10H2,1-3H3,(H,20,21,24).
What are the key properties of tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 374.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[3-(2-oxoazetidin-1-yl)anilino]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 154794125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).