[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone

C17H20N2O4S — CID 51078085

IUPAC[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCOCC3C)cs2)c1OC
InChIInChI=1S/C17H20N2O4S/c1-11-9-23-8-7-19(11)17(20)13-10-24-16(18-13)12-5-4-6-14(21-2)15(12)22-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyNDNLZOSGIOKDSJ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.69
Rot. Bonds4

About [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone

[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 51078085) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
PubChem CID51078085
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCOCC3C)cs2)c1OC
InChIInChI=1S/C17H20N2O4S/c1-11-9-23-8-7-19(11)17(20)13-10-24-16(18-13)12-5-4-6-14(21-2)15(12)22-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyNDNLZOSGIOKDSJ-UHFFFAOYSA-N
XLogP2.69
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 36759632
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 51126003
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537724
3,4-dihydro-2H-quinolin-1-yl-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 36653262
1-[(3S)-4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 166411179
(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone
CID 138689546
(6-methoxypyrazin-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 136581263
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-(3-methylmorpholin-4-yl)methanone
CID 176716360
(4-chloro-3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 68684537
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 95160165

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone (CID 51078085) is [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone is COc1cccc(-c2nc(C(=O)N3CCOCC3C)cs2)c1OC.
What is the InChIKey of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is NDNLZOSGIOKDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-9-23-8-7-19(11)17(20)13-10-24-16(18-13)12-5-4-6-14(21-2)15(12)22-3/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone?
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 348.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 51078085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).