tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate

C17H23N3O2S — CID 103936431

IUPACtert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
SMILESCC(Nc1cccc(CNC(=O)OC(C)(C)C)c1)c1nccs1
InChIInChI=1S/C17H23N3O2S/c1-12(15-18-8-9-23-15)20-14-7-5-6-13(10-14)11-19-16(21)22-17(2,3)4/h5-10,12,20H,11H2,1-4H3,(H,19,21)
InChIKeyUVYVNCJKSCCPRG-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.34
Rot. Bonds5

About tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate

tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate (PubChem CID 103936431) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
PubChem CID103936431
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Nametert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
SMILESCC(Nc1cccc(CNC(=O)OC(C)(C)C)c1)c1nccs1
InChIInChI=1S/C17H23N3O2S/c1-12(15-18-8-9-23-15)20-14-7-5-6-13(10-14)11-19-16(21)22-17(2,3)4/h5-10,12,20H,11H2,1-4H3,(H,19,21)
InChIKeyUVYVNCJKSCCPRG-UHFFFAOYSA-N
XLogP4.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[3-(1-pyridin-3-ylethylamino)phenyl]methyl]carbamate
CID 113354942
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
CID 166686967
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
tert-butyl N-[[3-[(3-bromothiophen-2-yl)methylamino]phenyl]methyl]carbamate
CID 104756662
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 107253798
tert-butyl N-[[3-(2-methylpropoxy)phenyl]methyl]carbamate
CID 138586671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate (CID 103936431) is tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate is CC(Nc1cccc(CNC(=O)OC(C)(C)C)c1)c1nccs1.
What is the InChIKey of tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate?
The InChIKey is UVYVNCJKSCCPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(15-18-8-9-23-15)20-14-7-5-6-13(10-14)11-19-16(21)22-17(2,3)4/h5-10,12,20H,11H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate?
tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate has a molecular weight of 333.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 103936431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).