2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide

C17H21N3O2S — CID 166224288

IUPAC2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide
SMILESCc1ccn(CC(=O)NCC2CCCc3sc(C)nc32)c(=O)c1
InChIInChI=1S/C17H21N3O2S/c1-11-6-7-20(16(22)8-11)10-15(21)18-9-13-4-3-5-14-17(13)19-12(2)23-14/h6-8,13H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeyMOBCDMGNWZURJX-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide

2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide (PubChem CID 166224288) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide
PubChem CID166224288
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide
SMILESCc1ccn(CC(=O)NCC2CCCc3sc(C)nc32)c(=O)c1
InChIInChI=1S/C17H21N3O2S/c1-11-6-7-20(16(22)8-11)10-15(21)18-9-13-4-3-5-14-17(13)19-12(2)23-14/h6-8,13H,3-5,9-10H2,1-2H3,(H,18,21)
InChIKeyMOBCDMGNWZURJX-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide (CID 166224288) is 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide is Cc1ccn(CC(=O)NCC2CCCc3sc(C)nc32)c(=O)c1.
What is the InChIKey of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
The InChIKey is MOBCDMGNWZURJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-6-7-20(16(22)8-11)10-15(21)18-9-13-4-3-5-14-17(13)19-12(2)23-14/h6-8,13H,3-5,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide?
2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1-pyridinyl)-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 166224288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).