(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone

C19H24N2O2S — CID 134704293

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
SMILESCc1nc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)s1
InChIInChI=1S/C19H24N2O2S/c1-12(2)16-10-21(19(22)18-13(3)20-14(4)24-18)11-17(23-16)15-8-6-5-7-9-15/h5-9,12,16-17H,10-11H2,1-4H3/t16-,17+/m1/s1
InChIKeyGCMJYUYJIRGASR-SJORKVTESA-N
MW344.48 g/mol
LogP4.00
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone (PubChem CID 134704293) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
PubChem CID134704293
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
SMILESCc1nc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)s1
InChIInChI=1S/C19H24N2O2S/c1-12(2)16-10-21(19(22)18-13(3)20-14(4)24-18)11-17(23-16)15-8-6-5-7-9-15/h5-9,12,16-17H,10-11H2,1-4H3/t16-,17+/m1/s1
InChIKeyGCMJYUYJIRGASR-SJORKVTESA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone (CID 134704293) is (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone is Cc1nc(C)c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
The InChIKey is GCMJYUYJIRGASR-SJORKVTESA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12(2)16-10-21(19(22)18-13(3)20-14(4)24-18)11-17(23-16)15-8-6-5-7-9-15/h5-9,12,16-17H,10-11H2,1-4H3/t16-,17+/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone is sourced from PubChem (CID 134704293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).