2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide

C10H10BrN3O2S — CID 72945549

IUPAC2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NCCO)c2cc(Br)sc12
InChIInChI=1S/C10H10BrN3O2S/c11-7-3-5-8(17-7)6(9(12)16)4-14-10(5)13-1-2-15/h3-4,15H,1-2H2,(H2,12,16)(H,13,14)
InChIKeyNURIRNPCILKLBH-UHFFFAOYSA-N
MW316.18 g/mol
LogP1.56
Rot. Bonds4

About 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide

2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 72945549) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide
PubChem CID72945549
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(NCCO)c2cc(Br)sc12
InChIInChI=1S/C10H10BrN3O2S/c11-7-3-5-8(17-7)6(9(12)16)4-14-10(5)13-1-2-15/h3-4,15H,1-2H2,(H2,12,16)(H,13,14)
InChIKeyNURIRNPCILKLBH-UHFFFAOYSA-N
XLogP1.56
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide (CID 72945549) is 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(NCCO)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is NURIRNPCILKLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c11-7-3-5-8(17-7)6(9(12)16)4-14-10(5)13-1-2-15/h3-4,15H,1-2H2,(H2,12,16)(H,13,14).
What are the key properties of 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide?
2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 316.18 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-hydroxyethylamino)thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 72945549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).