[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate

C21H29N3O4S — CID 142744465

IUPAC[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnc(-c2ccc(OCCN3CCOCC3)cc2)s1
InChIInChI=1S/C21H29N3O4S/c1-21(2,3)23-20(25)28-15-18-14-22-19(29-18)16-4-6-17(7-5-16)27-13-10-24-8-11-26-12-9-24/h4-7,14H,8-13,15H2,1-3H3,(H,23,25)
InChIKeyKHUQAZZXWNJTAS-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.55
Rot. Bonds7

About [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate

[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (PubChem CID 142744465) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
PubChem CID142744465
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCc1cnc(-c2ccc(OCCN3CCOCC3)cc2)s1
InChIInChI=1S/C21H29N3O4S/c1-21(2,3)23-20(25)28-15-18-14-22-19(29-18)16-4-6-17(7-5-16)27-13-10-24-8-11-26-12-9-24/h4-7,14H,8-13,15H2,1-3H3,(H,23,25)
InChIKeyKHUQAZZXWNJTAS-UHFFFAOYSA-N
XLogP3.55
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate with MolForge

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Related Compounds

[2-[4-(dimethylamino)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
CID 142744426
[2-[4-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate
CID 142744449
[2-[4-(3-morpholin-4-ylpropoxy)phenyl]-1,3-thiazol-5-yl]methanamine;hydrochloride
CID 126697388
ethyl 2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetate
CID 56640834
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
[2-[4-[3-(azetidin-1-yl)propoxy]phenyl]-1,3-thiazol-5-yl]methanamine
CID 126719606
2-(carbamoylamino)-5-[4-(2-morpholin-4-ylethoxy)phenyl]thiophene-3-carboxamide
CID 10221992
3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651729
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The IUPAC name of [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate (CID 142744465) is [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The canonical SMILES for [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCc1cnc(-c2ccc(OCCN3CCOCC3)cc2)s1.
What is the InChIKey of [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
The InChIKey is KHUQAZZXWNJTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-21(2,3)23-20(25)28-15-18-14-22-19(29-18)16-4-6-17(7-5-16)27-13-10-24-8-11-26-12-9-24/h4-7,14H,8-13,15H2,1-3H3,(H,23,25).
What are the key properties of [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate?
[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate has a molecular weight of 419.55 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-5-yl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 142744465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).