N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C18H22N4O3S — CID 162647311

IUPACN-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CC=CCC3)nc12
InChIInChI=1S/C18H22N4O3S/c1-24-14-6-5-13(21-9-11-25-12-10-21)16-15(14)19-17(26-16)20-18(23)22-7-3-2-4-8-22/h2-3,5-6H,4,7-12H2,1H3,(H,19,20,23)
InChIKeySJFBTOOXZLJLKA-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.94
Rot. Bonds3

About N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162647311) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162647311
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)N3CC=CCC3)nc12
InChIInChI=1S/C18H22N4O3S/c1-24-14-6-5-13(21-9-11-25-12-10-21)16-15(14)19-17(26-16)20-18(23)22-7-3-2-4-8-22/h2-3,5-6H,4,7-12H2,1H3,(H,19,20,23)
InChIKeySJFBTOOXZLJLKA-UHFFFAOYSA-N
XLogP2.94
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162647311) is N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CC=CCC3)nc12.
What is the InChIKey of N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is SJFBTOOXZLJLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-24-14-6-5-13(21-9-11-25-12-10-21)16-15(14)19-17(26-16)20-18(23)22-7-3-2-4-8-22/h2-3,5-6H,4,7-12H2,1H3,(H,19,20,23).
What are the key properties of N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162647311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).