2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile

C18H18N4OS — CID 86772952

IUPAC2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
SMILESCc1csc(C2CN(Cc3cn4ccccc4c3C#N)CCO2)n1
InChIInChI=1S/C18H18N4OS/c1-13-12-24-18(20-13)17-11-21(6-7-23-17)9-14-10-22-5-3-2-4-16(22)15(14)8-19/h2-5,10,12,17H,6-7,9,11H2,1H3
InChIKeyPVDGJNUXQXCEIU-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.15
Rot. Bonds3

About 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile

2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile (PubChem CID 86772952) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
PubChem CID86772952
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
SMILESCc1csc(C2CN(Cc3cn4ccccc4c3C#N)CCO2)n1
InChIInChI=1S/C18H18N4OS/c1-13-12-24-18(20-13)17-11-21(6-7-23-17)9-14-10-22-5-3-2-4-16(22)15(14)8-19/h2-5,10,12,17H,6-7,9,11H2,1H3
InChIKeyPVDGJNUXQXCEIU-UHFFFAOYSA-N
XLogP3.15
TPSA53.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]indolizine-1-carbonitrile
CID 95283741
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]morpholine
CID 129403672
4-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86879147
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
2-[(4-amino-3-methylpiperidin-1-yl)methyl]indolizine-1-carbonitrile
CID 79867743
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]morpholine
CID 95138964
(2S)-4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136754
(1R)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-1-phenylethanol
CID 95136891
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
(2R)-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137763
N,N-dimethyl-3-[[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]benzamide
CID 95138708

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile (CID 86772952) is 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile is Cc1csc(C2CN(Cc3cn4ccccc4c3C#N)CCO2)n1.
What is the InChIKey of 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
The InChIKey is PVDGJNUXQXCEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13-12-24-18(20-13)17-11-21(6-7-23-17)9-14-10-22-5-3-2-4-16(22)15(14)8-19/h2-5,10,12,17H,6-7,9,11H2,1H3.
What are the key properties of 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile?
2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile has a molecular weight of 338.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 86772952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).