1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone

C11H12N2O2S — CID 167539603

IUPAC1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESC#Cc1nc(C(C)=O)c(N2CCOCC2)s1
InChIInChI=1S/C11H12N2O2S/c1-3-9-12-10(8(2)14)11(16-9)13-4-6-15-7-5-13/h1H,4-7H2,2H3
InChIKeyAZPZRIUCASLWNU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.16
Rot. Bonds2

About 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone

1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 167539603) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID167539603
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESC#Cc1nc(C(C)=O)c(N2CCOCC2)s1
InChIInChI=1S/C11H12N2O2S/c1-3-9-12-10(8(2)14)11(16-9)13-4-6-15-7-5-13/h1H,4-7H2,2H3
InChIKeyAZPZRIUCASLWNU-UHFFFAOYSA-N
XLogP1.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1,1-Difluoroethyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498021
1-[5-[(1S,6R)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498075
1-[5-[(1R,6S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498077
4-[4-Acetyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]morpholin-3-one
CID 126498080
1-(2-Methyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497974
1-(5-Morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497996
1-(2-Bromo-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497997
1-[5-(2-Methoxyethylamino)-2-methyl-1,3-thiazol-4-yl]ethanone
CID 126497998
1-(2-Cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126497999
1-(2-Ethyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498007
1-(2-Cyclohexyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498018
1-[2-(1-Ethoxyethenyl)-5-morpholin-4-yl-1,3-thiazol-4-yl]ethanone
CID 126498019

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (CID 167539603) is 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is C#Cc1nc(C(C)=O)c(N2CCOCC2)s1.
What is the InChIKey of 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is AZPZRIUCASLWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-9-12-10(8(2)14)11(16-9)13-4-6-15-7-5-13/h1H,4-7H2,2H3.
What are the key properties of 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 236.30 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethynyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 167539603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).