tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate

C22H25N5O4S — CID 169093483

IUPACtert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate
SMILESCCOc1cncc(-c2cnc(NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)s2)n1
InChIInChI=1S/C22H25N5O4S/c1-5-30-19-13-23-11-16(26-19)17-12-24-20(32-17)27-18(28)10-14-7-6-8-15(9-14)25-21(29)31-22(2,3)4/h6-9,11-13H,5,10H2,1-4H3,(H,25,29)(H,24,27,28)
InChIKeyLCEYNOKUZPMNPS-UHFFFAOYSA-N
MW455.54 g/mol
LogP4.53
Rot. Bonds7

About tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate (PubChem CID 169093483) has the molecular formula C22H25N5O4S and a molecular weight of 455.54 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate
PubChem CID169093483
Molecular FormulaC22H25N5O4S
Molecular Weight455.54 g/mol
Exact Mass455.16
IUPAC Nametert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate
SMILESCCOc1cncc(-c2cnc(NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)s2)n1
InChIInChI=1S/C22H25N5O4S/c1-5-30-19-13-23-11-16(26-19)17-12-24-20(32-17)27-18(28)10-14-7-6-8-15(9-14)25-21(29)31-22(2,3)4/h6-9,11-13H,5,10H2,1-4H3,(H,25,29)(H,24,27,28)
InChIKeyLCEYNOKUZPMNPS-UHFFFAOYSA-N
XLogP4.53
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[3-(2-oxobutyl)phenyl]carbamate
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tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
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tert-butyl N-[3-(carbamoyloxymethyl)phenyl]carbamate
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tert-butyl N-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate (CID 169093483) is tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate is CCOc1cncc(-c2cnc(NC(=O)Cc3cccc(NC(=O)OC(C)(C)C)c3)s2)n1.
What is the InChIKey of tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is LCEYNOKUZPMNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S/c1-5-30-19-13-23-11-16(26-19)17-12-24-20(32-17)27-18(28)10-14-7-6-8-15(9-14)25-21(29)31-22(2,3)4/h6-9,11-13H,5,10H2,1-4H3,(H,25,29)(H,24,27,28).
What are the key properties of tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 455.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[[5-(6-ethoxypyrazin-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 169093483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).