tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate

C23H32N2O4S — CID 156873235

IUPACtert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
SMILESCc1ncsc1-c1ccc(CN(CCOC2CCCCO2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H32N2O4S/c1-17-21(30-16-24-17)19-10-8-18(9-11-19)15-25(22(26)29-23(2,3)4)12-14-28-20-7-5-6-13-27-20/h8-11,16,20H,5-7,12-15H2,1-4H3
InChIKeyCFETULASKJDMMP-UHFFFAOYSA-N
MW432.59 g/mol
LogP5.40
Rot. Bonds7

About tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate

tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate (PubChem CID 156873235) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
PubChem CID156873235
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Nametert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
SMILESCc1ncsc1-c1ccc(CN(CCOC2CCCCO2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C23H32N2O4S/c1-17-21(30-16-24-17)19-10-8-18(9-11-19)15-25(22(26)29-23(2,3)4)12-14-28-20-7-5-6-13-27-20/h8-11,16,20H,5-7,12-15H2,1-4H3
InChIKeyCFETULASKJDMMP-UHFFFAOYSA-N
XLogP5.40
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl-cyclopropylamino]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]carbamate
CID 177309291
2-[4-[2-(oxan-2-yloxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 141190740
tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
CID 67319237
tert-butyl N-[2-[3-[3-[2-[[3,3-dimethyl-1-[2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-2-oxoethoxy]propoxy]propoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 170976437
tert-butyl N-[1-[2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123579625
6-[4-[2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]phenyl]pyridine-3-carboxylic acid
CID 141102959
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
2-cyclohexyloxy-4-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-(oxan-2-yloxy)-2-phenylethyl]amino]ethyl]phenyl]benzoic acid
CID 69103371
2-cyclopentyl-4-[4-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(2R)-2-(oxan-2-yloxy)-2-phenylethyl]amino]ethyl]phenyl]benzoic acid
CID 67098004
2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl tert-butyl carbonate
CID 12028342
(2R)-N-tert-butyl-2-[methyl-[2-[(2R)-oxan-2-yl]oxyethyl]amino]propanamide
CID 100668822
2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 39379328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate (CID 156873235) is tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate is Cc1ncsc1-c1ccc(CN(CCOC2CCCCO2)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?
The InChIKey is CFETULASKJDMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-17-21(30-16-24-17)19-10-8-18(9-11-19)15-25(22(26)29-23(2,3)4)12-14-28-20-7-5-6-13-27-20/h8-11,16,20H,5-7,12-15H2,1-4H3.
What are the key properties of tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate?
tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate has a molecular weight of 432.59 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate is sourced from PubChem (CID 156873235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).