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

C14H16N2O2S2 — CID 97485469

IUPAC1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCc1nc([C@@H]2COCCN2C(=O)Cc2ccsc2)cs1
InChIInChI=1S/C14H16N2O2S2/c1-10-15-12(9-20-10)13-7-18-4-3-16(13)14(17)6-11-2-5-19-8-11/h2,5,8-9,13H,3-4,6-7H2,1H3/t13-/m0/s1
InChIKeyXHXMRDWFNSXSGT-ZDUSSCGKSA-N
MW308.43 g/mol
LogP2.66
Rot. Bonds3

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

1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone (PubChem CID 97485469) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
PubChem CID97485469
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone
SMILESCc1nc([C@@H]2COCCN2C(=O)Cc2ccsc2)cs1
InChIInChI=1S/C14H16N2O2S2/c1-10-15-12(9-20-10)13-7-18-4-3-16(13)14(17)6-11-2-5-19-8-11/h2,5,8-9,13H,3-4,6-7H2,1H3/t13-/m0/s1
InChIKeyXHXMRDWFNSXSGT-ZDUSSCGKSA-N
XLogP2.66
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone with MolForge

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Related Compounds

1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
3-(4-chlorophenyl)-1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]propan-1-one
CID 97485746
2-(4-methylphenoxy)-1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]ethanone
CID 131654980
furan-3-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97484452
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
cyclopenten-1-yl-[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485709
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124985758
[(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 97486089
(1-methylindol-3-yl)-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 131653318
[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-quinolin-4-ylmethanone
CID 131659440
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone (CID 97485469) is 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone is Cc1nc([C@@H]2COCCN2C(=O)Cc2ccsc2)cs1.
What is the InChIKey of 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
The InChIKey is XHXMRDWFNSXSGT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-10-15-12(9-20-10)13-7-18-4-3-16(13)14(17)6-11-2-5-19-8-11/h2,5,8-9,13H,3-4,6-7H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone?
1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone has a molecular weight of 308.43 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 97485469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).