tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate

C23H26N2O4S — CID 91430904

IUPACtert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)29-22(28)25(4)14-16-6-5-7-18(12-16)17-10-8-15(9-11-17)13-19-20(26)24-21(27)30-19/h5-12,26H,13-14H2,1-4H3,(H,24,27)
InChIKeyPMNPTOGBSJOXDE-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.77
Rot. Bonds5

About tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate (PubChem CID 91430904) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate
PubChem CID91430904
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Nametert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate
SMILESCN(Cc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H26N2O4S/c1-23(2,3)29-22(28)25(4)14-16-6-5-7-18(12-16)17-10-8-15(9-11-17)13-19-20(26)24-21(27)30-19/h5-12,26H,13-14H2,1-4H3,(H,24,27)
InChIKeyPMNPTOGBSJOXDE-UHFFFAOYSA-N
XLogP4.77
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate with MolForge

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Related Compounds

N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methyl-3-phenylpropanamide
CID 90843738
1-hydroxy-N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylnaphthalene-2-carboxamide
CID 91611980
10-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl-methylamino]-2-methyl-10-oxodecanoic acid
CID 91184546
tert-butyl N-[[3-(4-formyl-3-methylphenyl)phenyl]methyl]-N-methylcarbamate
CID 91244259
1-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-3-phenylurea
CID 90693218
N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]-4-methylsulfanylbenzamide
CID 90848030
tert-butyl N-[[3-(ethylamino)phenyl]methyl]-N-methylcarbamate
CID 107243019
4-hydroxy-5-[[4-[[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]methyl]phenyl]methyl]-3H-1,3-thiazol-2-one
CID 90913449
tert-butyl N-[1-(dimethylamino)-3-[4-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenoxy]phenyl]-1-oxopropan-2-yl]carbamate
CID 91132317
N-[[2-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-5-phenylphenyl]methyl]-4-(4-hydroxyphenyl)-N-methylbenzamide
CID 91375360
4-hydroxy-5-[[4-(2-phenylethyl)phenyl]methyl]-3H-1,3-thiazol-2-one
CID 91934054
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate (CID 91430904) is tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate is CN(Cc1cccc(-c2ccc(Cc3sc(=O)[nH]c3O)cc2)c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate?
The InChIKey is PMNPTOGBSJOXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-23(2,3)29-22(28)25(4)14-16-6-5-7-18(12-16)17-10-8-15(9-11-17)13-19-20(26)24-21(27)30-19/h5-12,26H,13-14H2,1-4H3,(H,24,27).
What are the key properties of tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate has a molecular weight of 426.54 g/mol, XLogP of 4.77, 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-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 91430904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).