2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile

C13H19N3OS — CID 82439732

IUPAC2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile
SMILESCC(C)(C)c1nc(N2CCOCC2)sc1CC#N
InChIInChI=1S/C13H19N3OS/c1-13(2,3)11-10(4-5-14)18-12(15-11)16-6-8-17-9-7-16/h4,6-9H2,1-3H3
InChIKeyJLFQHIBAPMJRAT-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.34
Rot. Bonds2

About 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile

2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 82439732) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile
PubChem CID82439732
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile
SMILESCC(C)(C)c1nc(N2CCOCC2)sc1CC#N
InChIInChI=1S/C13H19N3OS/c1-13(2,3)11-10(4-5-14)18-12(15-11)16-6-8-17-9-7-16/h4,6-9H2,1-3H3
InChIKeyJLFQHIBAPMJRAT-UHFFFAOYSA-N
XLogP2.34
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile (CID 82439732) is 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile is CC(C)(C)c1nc(N2CCOCC2)sc1CC#N.
What is the InChIKey of 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is JLFQHIBAPMJRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,3)11-10(4-5-14)18-12(15-11)16-6-8-17-9-7-16/h4,6-9H2,1-3H3.
What are the key properties of 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile?
2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 265.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82439732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).