1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile

C13H16N4O2S — CID 155491481

IUPAC1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CC(C#N)C1
InChIInChI=1S/C13H16N4O2S/c1-9-11(12(18)17-7-10(6-14)8-17)20-13(15-9)16-2-4-19-5-3-16/h10H,2-5,7-8H2,1H3
InChIKeySKTNNGIHMBAITD-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.88
Rot. Bonds2

About 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile

1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile (PubChem CID 155491481) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile
PubChem CID155491481
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile
SMILESCc1nc(N2CCOCC2)sc1C(=O)N1CC(C#N)C1
InChIInChI=1S/C13H16N4O2S/c1-9-11(12(18)17-7-10(6-14)8-17)20-13(15-9)16-2-4-19-5-3-16/h10H,2-5,7-8H2,1H3
InChIKeySKTNNGIHMBAITD-UHFFFAOYSA-N
XLogP0.88
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 155505815
(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)methanone
CID 155492369
N-tert-butyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 154568714
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
CID 20889810
(3S)-1-[4-methyl-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]pyrrolidine-3-carbonitrile
CID 118673396
1-[4-methyl-5-(2-methylpropanoyl)-1,3-thiazol-2-yl]pyrrolidine-3-carbonitrile
CID 134286626
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 155494537
[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 110082514
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 96997048
1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 63168028
4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011581
(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114414556

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile?
The IUPAC name of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile (CID 155491481) is 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile.
What is the SMILES notation for 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile?
The canonical SMILES for 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile is Cc1nc(N2CCOCC2)sc1C(=O)N1CC(C#N)C1.
What is the InChIKey of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile?
The InChIKey is SKTNNGIHMBAITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9-11(12(18)17-7-10(6-14)8-17)20-13(15-9)16-2-4-19-5-3-16/h10H,2-5,7-8H2,1H3.
What are the key properties of 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile?
1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile has a molecular weight of 292.36 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)azetidine-3-carbonitrile is sourced from PubChem (CID 155491481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).