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

C18H18N2O2S — CID 20767732

IUPACtert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2ccccc2cc1-c1cncs1
InChIInChI=1S/C18H18N2O2S/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/h4-11H,1-3H3,(H,20,21)
InChIKeyHVPGDYPUFJIEMP-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.31
Rot. Bonds2

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

tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate (PubChem CID 20767732) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate
PubChem CID20767732
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Nametert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc2ccccc2cc1-c1cncs1
InChIInChI=1S/C18H18N2O2S/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/h4-11H,1-3H3,(H,20,21)
InChIKeyHVPGDYPUFJIEMP-UHFFFAOYSA-N
XLogP5.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.31
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?
The IUPAC name of tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate (CID 20767732) is tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate is 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?
The InChIKey is HVPGDYPUFJIEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/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/h4-11H,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate?
tert-butyl N-[3-(1,3-thiazol-5-yl)naphthalen-2-yl]carbamate has a molecular weight of 326.42 g/mol, XLogP of 5.31, 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 is sourced from PubChem (CID 20767732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).