(2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone

C19H21N3O3S2 — CID 47034269

IUPAC(2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone
SMILESCOc1ccccc1Nc1nc2sc(C(=O)N3CC(C)OC(C)C3)cc2s1
InChIInChI=1S/C19H21N3O3S2/c1-11-9-22(10-12(2)25-11)18(23)16-8-15-17(26-16)21-19(27-15)20-13-6-4-5-7-14(13)24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)
InChIKeyKZMISNWRPWKHIO-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.36
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone (PubChem CID 47034269) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone
PubChem CID47034269
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone
SMILESCOc1ccccc1Nc1nc2sc(C(=O)N3CC(C)OC(C)C3)cc2s1
InChIInChI=1S/C19H21N3O3S2/c1-11-9-22(10-12(2)25-11)18(23)16-8-15-17(26-16)21-19(27-15)20-13-6-4-5-7-14(13)24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)
InChIKeyKZMISNWRPWKHIO-UHFFFAOYSA-N
XLogP4.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone (CID 47034269) is (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone is COc1ccccc1Nc1nc2sc(C(=O)N3CC(C)OC(C)C3)cc2s1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
The InChIKey is KZMISNWRPWKHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-11-9-22(10-12(2)25-11)18(23)16-8-15-17(26-16)21-19(27-15)20-13-6-4-5-7-14(13)24-3/h4-8,11-12H,9-10H2,1-3H3,(H,20,21).
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[2-(2-methoxyanilino)thieno[2,3-d][1,3]thiazol-5-yl]methanone is sourced from PubChem (CID 47034269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).