5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide

C15H12BrN3O2S — CID 5310501

IUPAC5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O2S/c16-13-4-3-12(21-13)14(20)18-7-5-11-9-22-15(19-11)10-2-1-6-17-8-10/h1-4,6,8-9H,5,7H2,(H,18,20)
InChIKeyYVKGKOLEHWFHQS-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.53
Rot. Bonds5

About 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 5310501) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID5310501
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)c1ccc(Br)o1
InChIInChI=1S/C15H12BrN3O2S/c16-13-4-3-12(21-13)14(20)18-7-5-11-9-22-15(19-11)10-2-1-6-17-8-10/h1-4,6,8-9H,5,7H2,(H,18,20)
InChIKeyYVKGKOLEHWFHQS-UHFFFAOYSA-N
XLogP3.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (CID 5310501) is 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is YVKGKOLEHWFHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c16-13-4-3-12(21-13)14(20)18-7-5-11-9-22-15(19-11)10-2-1-6-17-8-10/h1-4,6,8-9H,5,7H2,(H,18,20).
What are the key properties of 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 378.25 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 5310501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).