2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile

C15H12N4OS — CID 154840622

IUPAC2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCOC(c2nccs2)C1
InChIInChI=1S/C15H12N4OS/c16-8-11-2-1-3-12(9-17)14(11)19-5-6-20-13(10-19)15-18-4-7-21-15/h1-4,7,13H,5-6,10H2
InChIKeyWNXKPPSWWBTIBV-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.46
Rot. Bonds2

About 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile

2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile (PubChem CID 154840622) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile
PubChem CID154840622
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1N1CCOC(c2nccs2)C1
InChIInChI=1S/C15H12N4OS/c16-8-11-2-1-3-12(9-17)14(11)19-5-6-20-13(10-19)15-18-4-7-21-15/h1-4,7,13H,5-6,10H2
InChIKeyWNXKPPSWWBTIBV-UHFFFAOYSA-N
XLogP2.46
TPSA72.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-6-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 125129782
3-chloro-2-(2-thiophen-2-ylmorpholin-4-yl)benzonitrile
CID 133363686
6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyridine-2-carboxylic acid
CID 122053464
1,3-dimethyl-2,4-dioxo-6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidine-5-carbonitrile
CID 133280874
2-(2-cyclopropylmorpholin-4-yl)benzene-1,3-dicarbonitrile
CID 154800229
4-(1,3-benzothiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine
CID 86774924
(2S)-4-imidazo[1,2-a]pyrazin-8-yl-2-(1,3-thiazol-2-yl)morpholine
CID 164634498
(2S)-4-(5-bromo-4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)morpholine
CID 97327976
1-methyl-4-[6-[2-(1,3-thiazol-2-yl)morpholin-4-yl]pyrimidin-4-yl]piperazin-2-one
CID 133464320
2-(2-ethylmorpholin-4-yl)-3-methylbenzonitrile
CID 107106497
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(2R)-4-[2-(4-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)morpholine
CID 124628866

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile (CID 154840622) is 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1N1CCOC(c2nccs2)C1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile?
The InChIKey is WNXKPPSWWBTIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-8-11-2-1-3-12(9-17)14(11)19-5-6-20-13(10-19)15-18-4-7-21-15/h1-4,7,13H,5-6,10H2.
What are the key properties of 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile?
2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile has a molecular weight of 296.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 154840622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).