N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

C21H21N5O2S2 — CID 71793543

IUPACN-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC(c4nnc(-c5ccsc5)o4)CC3)sc2c1
InChIInChI=1S/C21H21N5O2S2/c1-13-2-3-16-17(10-13)30-21(22-16)23-18(27)11-26-7-4-14(5-8-26)19-24-25-20(28-19)15-6-9-29-12-15/h2-3,6,9-10,12,14H,4-5,7-8,11H2,1H3,(H,22,23,27)
InChIKeyPEPICHULAPJJKX-UHFFFAOYSA-N
MW439.57 g/mol
LogP4.53
Rot. Bonds5

About N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 71793543) has the molecular formula C21H21N5O2S2 and a molecular weight of 439.57 g/mol. Its IUPAC name is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID71793543
Molecular FormulaC21H21N5O2S2
Molecular Weight439.57 g/mol
Exact Mass439.11
IUPAC NameN-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2nc(NC(=O)CN3CCC(c4nnc(-c5ccsc5)o4)CC3)sc2c1
InChIInChI=1S/C21H21N5O2S2/c1-13-2-3-16-17(10-13)30-21(22-16)23-18(27)11-26-7-4-14(5-8-26)19-24-25-20(28-19)15-6-9-29-12-15/h2-3,6,9-10,12,14H,4-5,7-8,11H2,1H3,(H,22,23,27)
InChIKeyPEPICHULAPJJKX-UHFFFAOYSA-N
XLogP4.53
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (CID 71793543) is N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is Cc1ccc2nc(NC(=O)CN3CCC(c4nnc(-c5ccsc5)o4)CC3)sc2c1.
What is the InChIKey of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is PEPICHULAPJJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S2/c1-13-2-3-16-17(10-13)30-21(22-16)23-18(27)11-26-7-4-14(5-8-26)19-24-25-20(28-19)15-6-9-29-12-15/h2-3,6,9-10,12,14H,4-5,7-8,11H2,1H3,(H,22,23,27).
What are the key properties of N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 439.57 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,3-benzothiazol-2-yl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 71793543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).