tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane

C22H30N2O2S — CID 90773968

IUPACtert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)Nc1cc2ccccc2cc1-c1cncs1
InChIInChI=1S/C18H18N2O2S.2C2H6/c1-18(2,3)22-17(21)20-15-9-13-7-5-4-6-12(13)8-14(15)16-10-19-11-23-16;2*1-2/h4-11H,1-3H3,(H,20,21);2*1-2H3
InChIKeyPXMKAJGBOQZODT-UHFFFAOYSA-N
MW386.56 g/mol
LogP7.36
Rot. Bonds2

About tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane

tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane (PubChem CID 90773968) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane
PubChem CID90773968
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Nametert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane
SMILESCC.CC.CC(C)(C)OC(=O)Nc1cc2ccccc2cc1-c1cncs1
InChIInChI=1S/C18H18N2O2S.2C2H6/c1-18(2,3)22-17(21)20-15-9-13-7-5-4-6-12(13)8-14(15)16-10-19-11-23-16;2*1-2/h4-11H,1-3H3,(H,20,21);2*1-2H3
InChIKeyPXMKAJGBOQZODT-UHFFFAOYSA-N
XLogP7.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane (CID 90773968) is tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane is CC.CC.CC(C)(C)OC(=O)Nc1cc2ccccc2cc1-c1cncs1.
What is the InChIKey of tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane?
The InChIKey is PXMKAJGBOQZODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S.2C2H6/c1-18(2,3)22-17(21)20-15-9-13-7-5-4-6-12(13)8-14(15)16-10-19-11-23-16;2*1-2/h4-11H,1-3H3,(H,20,21);2*1-2H3.
What are the key properties of tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane?
tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane has a molecular weight of 386.56 g/mol, XLogP of 7.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate;ethane is sourced from PubChem (CID 90773968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).