4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide

C18H26N4O3S — CID 59628488

IUPAC4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCCCNc1ccc(OC)c2nc(NC(=O)N3CCC(C)(O)CC3)sc12
InChIInChI=1S/C18H26N4O3S/c1-4-9-19-12-5-6-13(25-3)14-15(12)26-16(20-14)21-17(23)22-10-7-18(2,24)8-11-22/h5-6,19,24H,4,7-11H2,1-3H3,(H,20,21,23)
InChIKeyQHACZBIKGSTVNC-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.51
Rot. Bonds5

About 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide

4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 59628488) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID59628488
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCCCNc1ccc(OC)c2nc(NC(=O)N3CCC(C)(O)CC3)sc12
InChIInChI=1S/C18H26N4O3S/c1-4-9-19-12-5-6-13(25-3)14-15(12)26-16(20-14)21-17(23)22-10-7-18(2,24)8-11-22/h5-6,19,24H,4,7-11H2,1-3H3,(H,20,21,23)
InChIKeyQHACZBIKGSTVNC-UHFFFAOYSA-N
XLogP3.51
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide (CID 59628488) is 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide is CCCNc1ccc(OC)c2nc(NC(=O)N3CCC(C)(O)CC3)sc12.
What is the InChIKey of 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is QHACZBIKGSTVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-9-19-12-5-6-13(25-3)14-15(12)26-16(20-14)21-17(23)22-10-7-18(2,24)8-11-22/h5-6,19,24H,4,7-11H2,1-3H3,(H,20,21,23).
What are the key properties of 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide?
4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-methoxy-7-(propylamino)-1,3-benzothiazol-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59628488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).