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

C17H14BrN3O2S — CID 1186587

IUPAC5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1
InChIInChI=1S/C17H14BrN3O2S/c1-2-23-14-5-3-11(4-6-14)15-10-24-17(20-15)21-16(22)12-7-13(18)9-19-8-12/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyBRMFENKFUIWARR-UHFFFAOYSA-N
MW404.29 g/mol
LogP4.62
Rot. Bonds5

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

5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 1186587) has the molecular formula C17H14BrN3O2S and a molecular weight of 404.29 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID1186587
Molecular FormulaC17H14BrN3O2S
Molecular Weight404.29 g/mol
Exact Mass403.00
IUPAC Name5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1
InChIInChI=1S/C17H14BrN3O2S/c1-2-23-14-5-3-11(4-6-14)15-10-24-17(20-15)21-16(22)12-7-13(18)9-19-8-12/h3-10H,2H2,1H3,(H,20,21,22)
InChIKeyBRMFENKFUIWARR-UHFFFAOYSA-N
XLogP4.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 1186587) is 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is CCOc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)cc1.
What is the InChIKey of 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is BRMFENKFUIWARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2S/c1-2-23-14-5-3-11(4-6-14)15-10-24-17(20-15)21-16(22)12-7-13(18)9-19-8-12/h3-10H,2H2,1H3,(H,20,21,22).
What are the key properties of 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 404.29 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1186587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).