N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide

C21H25N5OS — CID 59251849

IUPACN-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide
SMILESNc1ccc(-c2ccc3nc(NC(=O)CCCN4CCCCC4)sc3c2)cn1
InChIInChI=1S/C21H25N5OS/c22-19-9-7-16(14-23-19)15-6-8-17-18(13-15)28-21(24-17)25-20(27)5-4-12-26-10-2-1-3-11-26/h6-9,13-14H,1-5,10-12H2,(H2,22,23)(H,24,25,27)
InChIKeyQQUYWRDEIKGPDZ-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.15
Rot. Bonds6

About N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide

N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide (PubChem CID 59251849) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide
PubChem CID59251849
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide
SMILESNc1ccc(-c2ccc3nc(NC(=O)CCCN4CCCCC4)sc3c2)cn1
InChIInChI=1S/C21H25N5OS/c22-19-9-7-16(14-23-19)15-6-8-17-18(13-15)28-21(24-17)25-20(27)5-4-12-26-10-2-1-3-11-26/h6-9,13-14H,1-5,10-12H2,(H2,22,23)(H,24,25,27)
InChIKeyQQUYWRDEIKGPDZ-UHFFFAOYSA-N
XLogP4.15
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.15
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]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide (CID 59251849) is N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide is Nc1ccc(-c2ccc3nc(NC(=O)CCCN4CCCCC4)sc3c2)cn1.
What is the InChIKey of N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is QQUYWRDEIKGPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c22-19-9-7-16(14-23-19)15-6-8-17-18(13-15)28-21(24-17)25-20(27)5-4-12-26-10-2-1-3-11-26/h6-9,13-14H,1-5,10-12H2,(H2,22,23)(H,24,25,27).
What are the key properties of N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide?
N-[6-(6-amino-3-pyridinyl)-1,3-benzothiazol-2-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 395.53 g/mol, XLogP of 4.15, 6 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]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 59251849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).