4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C15H17N3OS — CID 72858123

IUPAC4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2ccc3sc(C)nc3c2)CC1
InChIInChI=1S/C15H17N3OS/c1-10-5-7-18(8-6-10)15(19)17-12-3-4-14-13(9-12)16-11(2)20-14/h3-5,9H,6-8H2,1-2H3,(H,17,19)
InChIKeyVXTXATSOCFAHGZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.79
Rot. Bonds1

About 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 72858123) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID72858123
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCN(C(=O)Nc2ccc3sc(C)nc3c2)CC1
InChIInChI=1S/C15H17N3OS/c1-10-5-7-18(8-6-10)15(19)17-12-3-4-14-13(9-12)16-11(2)20-14/h3-5,9H,6-8H2,1-2H3,(H,17,19)
InChIKeyVXTXATSOCFAHGZ-UHFFFAOYSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 72858123) is 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCN(C(=O)Nc2ccc3sc(C)nc3c2)CC1.
What is the InChIKey of 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is VXTXATSOCFAHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-5-7-18(8-6-10)15(19)17-12-3-4-14-13(9-12)16-11(2)20-14/h3-5,9H,6-8H2,1-2H3,(H,17,19).
What are the key properties of 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 72858123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).