[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

C16H18N2O4S2 — CID 146571073

IUPAC[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESC[C@@H]1CN(c2ncc(C(=O)c3cccc(S(C)(=O)=O)c3)s2)CCO1
InChIInChI=1S/C16H18N2O4S2/c1-11-10-18(6-7-22-11)16-17-9-14(23-16)15(19)12-4-3-5-13(8-12)24(2,20)21/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m1/s1
InChIKeyIASNQECLOQUVBN-LLVKDONJSA-N
MW366.46 g/mol
LogP2.00
Rot. Bonds4

About [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone

[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 146571073) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID146571073
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
SMILESC[C@@H]1CN(c2ncc(C(=O)c3cccc(S(C)(=O)=O)c3)s2)CCO1
InChIInChI=1S/C16H18N2O4S2/c1-11-10-18(6-7-22-11)16-17-9-14(23-16)15(19)12-4-3-5-13(8-12)24(2,20)21/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m1/s1
InChIKeyIASNQECLOQUVBN-LLVKDONJSA-N
XLogP2.00
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146571057
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146570881
[2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146618078
[2-[4-benzyl-3-(hydroxymethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146617035
[2-[2-(hydroxymethyl)piperidin-1-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146616891
[2-(4-methyl-2-phenylpiperazin-1-yl)-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 146616910
4-(3-methylsulfonylbenzoyl)morpholine-2-carbonitrile
CID 78945893
(3-methylsulfonylphenyl)-[2-(1,3-oxazol-2-ylmethylamino)-1,3-thiazol-5-yl]methanone
CID 142615632
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136
[2-(4-hydroxy-3-pyrazol-1-ylpiperidin-1-yl)-1,3-thiazol-5-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 146571023
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
[2-[[1-(4-fluorophenyl)cyclobutyl]amino]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone
CID 142615585

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone (CID 146571073) is [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is C[C@@H]1CN(c2ncc(C(=O)c3cccc(S(C)(=O)=O)c3)s2)CCO1.
What is the InChIKey of [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is IASNQECLOQUVBN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-11-10-18(6-7-22-11)16-17-9-14(23-16)15(19)12-4-3-5-13(8-12)24(2,20)21/h3-5,8-9,11H,6-7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone?
[2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 366.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylmorpholin-4-yl]-1,3-thiazol-5-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 146571073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).