1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone

C15H17N3O2S — CID 131657943

IUPAC1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C2COCCN2C(=O)Cc2ccccn2)cs1
InChIInChI=1S/C15H17N3O2S/c1-11-17-13(10-21-11)14-9-20-7-6-18(14)15(19)8-12-4-2-3-5-16-12/h2-5,10,14H,6-9H2,1H3
InChIKeyJXNRXCAJUZCHIK-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.99
Rot. Bonds3

About 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone

1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone (PubChem CID 131657943) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
PubChem CID131657943
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C2COCCN2C(=O)Cc2ccccn2)cs1
InChIInChI=1S/C15H17N3O2S/c1-11-17-13(10-21-11)14-9-20-7-6-18(14)15(19)8-12-4-2-3-5-16-12/h2-5,10,14H,6-9H2,1H3
InChIKeyJXNRXCAJUZCHIK-UHFFFAOYSA-N
XLogP1.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 97485469
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
CID 97485746
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 97486089
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440
1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 112537732
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
3-(2-methyl-1,3-thiazol-4-yl)-4-pyrimidin-2-ylmorpholine;2,2,2-trifluoroacetic acid
CID 155846689
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone (CID 131657943) is 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone is Cc1nc(C2COCCN2C(=O)Cc2ccccn2)cs1.
What is the InChIKey of 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone?
The InChIKey is JXNRXCAJUZCHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-17-13(10-21-11)14-9-20-7-6-18(14)15(19)8-12-4-2-3-5-16-12/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone?
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone has a molecular weight of 303.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 131657943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).