[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone

C15H16N2O2S — CID 2968134

IUPAC[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C15H16N2O2S/c1-11-16-14(10-20-11)12-2-4-13(5-3-12)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyKUOKFOGBRORKDR-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.59
Rot. Bonds2

About [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone

[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone (PubChem CID 2968134) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone
PubChem CID2968134
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C15H16N2O2S/c1-11-16-14(10-20-11)12-2-4-13(5-3-12)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyKUOKFOGBRORKDR-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone (CID 2968134) is [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone is Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KUOKFOGBRORKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11-16-14(10-20-11)12-2-4-13(5-3-12)15(18)17-6-8-19-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone?
[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 288.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-thiazol-4-yl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2968134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).