1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one

C17H20N2O2S — CID 10087138

IUPAC1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)CCN1CCOCC1
InChIInChI=1S/C17H20N2O2S/c1-13-16(15(20)7-8-19-9-11-21-12-10-19)22-17(18-13)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyYTPRDEGGGXWSBP-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one

1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 10087138) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID10087138
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCc1nc(-c2ccccc2)sc1C(=O)CCN1CCOCC1
InChIInChI=1S/C17H20N2O2S/c1-13-16(15(20)7-8-19-9-11-21-12-10-19)22-17(18-13)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3
InChIKeyYTPRDEGGGXWSBP-UHFFFAOYSA-N
XLogP3.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one (CID 10087138) is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one is Cc1nc(-c2ccccc2)sc1C(=O)CCN1CCOCC1.
What is the InChIKey of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is YTPRDEGGGXWSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-16(15(20)7-8-19-9-11-21-12-10-19)22-17(18-13)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3.
What are the key properties of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 316.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 10087138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).