N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide

C19H21N5OS — CID 59252012

IUPACN-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESNc1ccc(-c2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cn1
InChIInChI=1S/C19H21N5OS/c20-17-7-5-14(11-21-17)13-4-6-15-16(10-13)26-19(22-15)23-18(25)12-24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H2,20,21)(H,22,23,25)
InChIKeyFWNIAYUIKZYIFT-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.36
Rot. Bonds4

About N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide

N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 59252012) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide
PubChem CID59252012
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC NameN-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESNc1ccc(-c2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cn1
InChIInChI=1S/C19H21N5OS/c20-17-7-5-14(11-21-17)13-4-6-15-16(10-13)26-19(22-15)23-18(25)12-24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H2,20,21)(H,22,23,25)
InChIKeyFWNIAYUIKZYIFT-UHFFFAOYSA-N
XLogP3.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide (CID 59252012) is N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide is Nc1ccc(-c2ccc3nc(NC(=O)CN4CCCCC4)sc3c2)cn1.
What is the InChIKey of N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is FWNIAYUIKZYIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c20-17-7-5-14(11-21-17)13-4-6-15-16(10-13)26-19(22-15)23-18(25)12-24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9,12H2,(H2,20,21)(H,22,23,25).
What are the key properties of N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide?
N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 367.48 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 59252012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).