2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C16H19N3O2S — CID 16668123

IUPAC2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CC=C(c3ccc(C)o3)CC2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-22-16(17-11)18-15(20)9-19-7-5-13(6-8-19)14-4-3-12(2)21-14/h3-5,10H,6-9H2,1-2H3,(H,17,18,20)
InChIKeyGAIIIVRLFZSPLJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.08
Rot. Bonds4

About 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 16668123) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID16668123
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2CC=C(c3ccc(C)o3)CC2)n1
InChIInChI=1S/C16H19N3O2S/c1-11-10-22-16(17-11)18-15(20)9-19-7-5-13(6-8-19)14-4-3-12(2)21-14/h3-5,10H,6-9H2,1-2H3,(H,17,18,20)
InChIKeyGAIIIVRLFZSPLJ-UHFFFAOYSA-N
XLogP3.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 16668123) is 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2CC=C(c3ccc(C)o3)CC2)n1.
What is the InChIKey of 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GAIIIVRLFZSPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-10-22-16(17-11)18-15(20)9-19-7-5-13(6-8-19)14-4-3-12(2)21-14/h3-5,10H,6-9H2,1-2H3,(H,17,18,20).
What are the key properties of 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 317.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylfuran-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16668123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).