3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile

C15H23N3OS — CID 86772841

IUPAC3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
SMILESCC(CC#N)N1CCOC(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C15H23N3OS/c1-11(5-6-16)18-7-8-19-12(9-18)14-17-13(10-20-14)15(2,3)4/h10-12H,5,7-9H2,1-4H3
InChIKeyJQEBIQRPVVNTMX-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.12
Rot. Bonds3

About 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile

3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile (PubChem CID 86772841) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile.

Molecular Properties

Compound Name3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
PubChem CID86772841
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
SMILESCC(CC#N)N1CCOC(c2nc(C(C)(C)C)cs2)C1
InChIInChI=1S/C15H23N3OS/c1-11(5-6-16)18-7-8-19-12(9-18)14-17-13(10-20-14)15(2,3)4/h10-12H,5,7-9H2,1-4H3
InChIKeyJQEBIQRPVVNTMX-UHFFFAOYSA-N
XLogP3.12
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
4-propan-2-yl-2-(4-propan-2-yl-1,3-thiazol-2-yl)morpholine
CID 112688094
4-acetyl-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 133457235
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 124880284
2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79657361
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 94782519
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile?
The IUPAC name of 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile (CID 86772841) is 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile.
What is the SMILES notation for 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile?
The canonical SMILES for 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile is CC(CC#N)N1CCOC(c2nc(C(C)(C)C)cs2)C1.
What is the InChIKey of 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile?
The InChIKey is JQEBIQRPVVNTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11(5-6-16)18-7-8-19-12(9-18)14-17-13(10-20-14)15(2,3)4/h10-12H,5,7-9H2,1-4H3.
What are the key properties of 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile?
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile has a molecular weight of 293.44 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile is sourced from PubChem (CID 86772841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).