(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone

C18H22N2O2S — CID 75489916

IUPAC(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
SMILESCCCc1nc(C)sc1C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O2S/c1-3-7-15-17(23-13(2)19-15)18(21)20-10-11-22-16(12-20)14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-12H2,1-2H3
InChIKeyVSVWYZLPUJGXON-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.62
Rot. Bonds4

About (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone

(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 75489916) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID75489916
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone
SMILESCCCc1nc(C)sc1C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H22N2O2S/c1-3-7-15-17(23-13(2)19-15)18(21)20-10-11-22-16(12-20)14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-12H2,1-2H3
InChIKeyVSVWYZLPUJGXON-UHFFFAOYSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121134787
(5-methyl-2-pyrrol-1-yl-1,3-thiazol-4-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 42234827
(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97264285
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 75490372
(6-ethylsulfanyl-3-pyridinyl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 95326024
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
1,3-benzothiazol-2-yl-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134792
(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
CID 103831208
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 124995524

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone (CID 75489916) is (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone is CCCc1nc(C)sc1C(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is VSVWYZLPUJGXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-7-15-17(23-13(2)19-15)18(21)20-10-11-22-16(12-20)14-8-5-4-6-9-14/h4-6,8-9,16H,3,7,10-12H2,1-2H3.
What are the key properties of (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone?
(2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 330.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propyl-1,3-thiazol-5-yl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 75489916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).