6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide

C19H21N3O3S2 — CID 60514412

IUPAC6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide
SMILESCc1nc2c(cc(OCC(=O)N3CC(C(N)=O)CCC3C)c3ccsc32)s1
InChIInChI=1S/C19H21N3O3S2/c1-10-3-4-12(19(20)24)8-22(10)16(23)9-25-14-7-15-17(21-11(2)27-15)18-13(14)5-6-26-18/h5-7,10,12H,3-4,8-9H2,1-2H3,(H2,20,24)
InChIKeyKAQFKYSDORJKIN-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.31
Rot. Bonds4

About 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide

6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide (PubChem CID 60514412) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide
PubChem CID60514412
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide
SMILESCc1nc2c(cc(OCC(=O)N3CC(C(N)=O)CCC3C)c3ccsc32)s1
InChIInChI=1S/C19H21N3O3S2/c1-10-3-4-12(19(20)24)8-22(10)16(23)9-25-14-7-15-17(21-11(2)27-15)18-13(14)5-6-26-18/h5-7,10,12H,3-4,8-9H2,1-2H3,(H2,20,24)
InChIKeyKAQFKYSDORJKIN-UHFFFAOYSA-N
XLogP3.31
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide (CID 60514412) is 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide is Cc1nc2c(cc(OCC(=O)N3CC(C(N)=O)CCC3C)c3ccsc32)s1.
What is the InChIKey of 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide?
The InChIKey is KAQFKYSDORJKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-10-3-4-12(19(20)24)8-22(10)16(23)9-25-14-7-15-17(21-11(2)27-15)18-13(14)5-6-26-18/h5-7,10,12H,3-4,8-9H2,1-2H3,(H2,20,24).
What are the key properties of 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide?
6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 60514412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).