N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

C16H21N3O2S — CID 77089183

IUPACN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C16H21N3O2S/c1-11(2)13-10-22-16(18-13)15(21)17-8-5-9-19-12(3)6-4-7-14(19)20/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,17,21)
InChIKeyVZTGILAJDAKJRJ-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.56
Rot. Bonds6

About N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 77089183) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID77089183
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1cccc(=O)n1CCCNC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C16H21N3O2S/c1-11(2)13-10-22-16(18-13)15(21)17-8-5-9-19-12(3)6-4-7-14(19)20/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,17,21)
InChIKeyVZTGILAJDAKJRJ-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 77089183) is N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is Cc1cccc(=O)n1CCCNC(=O)c1nc(C(C)C)cs1.
What is the InChIKey of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is VZTGILAJDAKJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11(2)13-10-22-16(18-13)15(21)17-8-5-9-19-12(3)6-4-7-14(19)20/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 77089183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).