4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide

C16H21N3O2S — CID 47066160

IUPAC4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2ccc(=O)n(CCC)c2)s1
InChIInChI=1S/C16H21N3O2S/c1-4-6-13-17-11(3)15(22-13)16(21)18-12-7-8-14(20)19(10-12)9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,18,21)
InChIKeyGPMBJQHPMUBXCI-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.23
Rot. Bonds6

About 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide

4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide (PubChem CID 47066160) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
PubChem CID47066160
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide
SMILESCCCc1nc(C)c(C(=O)Nc2ccc(=O)n(CCC)c2)s1
InChIInChI=1S/C16H21N3O2S/c1-4-6-13-17-11(3)15(22-13)16(21)18-12-7-8-14(20)19(10-12)9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,18,21)
InChIKeyGPMBJQHPMUBXCI-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide (CID 47066160) is 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide is CCCc1nc(C)c(C(=O)Nc2ccc(=O)n(CCC)c2)s1.
What is the InChIKey of 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is GPMBJQHPMUBXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-6-13-17-11(3)15(22-13)16(21)18-12-7-8-14(20)19(10-12)9-5-2/h7-8,10H,4-6,9H2,1-3H3,(H,18,21).
What are the key properties of 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide?
4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-oxo-1-propyl-3-pyridinyl)-2-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47066160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).