1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C19H23N5O2S2 — CID 5308991

IUPAC1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)Nc4nnc(CC)s4)CC3)sc2c1
InChIInChI=1S/C19H23N5O2S2/c1-3-16-22-23-18(28-16)21-17(25)12-7-9-24(10-8-12)19-20-14-6-5-13(26-4-2)11-15(14)27-19/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,21,23,25)
InChIKeyDLEWAKWLNUOJBF-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.96
Rot. Bonds6

About 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 5308991) has the molecular formula C19H23N5O2S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID5308991
Molecular FormulaC19H23N5O2S2
Molecular Weight417.56 g/mol
Exact Mass417.13
IUPAC Name1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCOc1ccc2nc(N3CCC(C(=O)Nc4nnc(CC)s4)CC3)sc2c1
InChIInChI=1S/C19H23N5O2S2/c1-3-16-22-23-18(28-16)21-17(25)12-7-9-24(10-8-12)19-20-14-6-5-13(26-4-2)11-15(14)27-19/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,21,23,25)
InChIKeyDLEWAKWLNUOJBF-UHFFFAOYSA-N
XLogP3.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 5308991) is 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCOc1ccc2nc(N3CCC(C(=O)Nc4nnc(CC)s4)CC3)sc2c1.
What is the InChIKey of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is DLEWAKWLNUOJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S2/c1-3-16-22-23-18(28-16)21-17(25)12-7-9-24(10-8-12)19-20-14-6-5-13(26-4-2)11-15(14)27-19/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,21,23,25).
What are the key properties of 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 417.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 5308991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).