2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C18H20N4O2S — CID 2559872

IUPAC2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nc(-c2cc(C)n(C)c2C)cs1
InChIInChI=1S/C18H20N4O2S/c1-5-24-17-13(7-6-8-19-17)16(23)21-18-20-15(10-25-18)14-9-11(2)22(4)12(14)3/h6-10H,5H2,1-4H3,(H,20,21,23)
InChIKeyQZTMHNYHHMBYTJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.81
Rot. Bonds5

About 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 2559872) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID2559872
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1nc(-c2cc(C)n(C)c2C)cs1
InChIInChI=1S/C18H20N4O2S/c1-5-24-17-13(7-6-8-19-17)16(23)21-18-20-15(10-25-18)14-9-11(2)22(4)12(14)3/h6-10H,5H2,1-4H3,(H,20,21,23)
InChIKeyQZTMHNYHHMBYTJ-UHFFFAOYSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 2559872) is 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1nc(-c2cc(C)n(C)c2C)cs1.
What is the InChIKey of 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is QZTMHNYHHMBYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-5-24-17-13(7-6-8-19-17)16(23)21-18-20-15(10-25-18)14-9-11(2)22(4)12(14)3/h6-10H,5H2,1-4H3,(H,20,21,23).
What are the key properties of 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2559872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).