5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide

C17H10BrN3O2S — CID 5310112

IUPAC5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O2S/c18-14-8-7-13(23-14)15(22)20-11-5-3-10(4-6-11)16-21-12-2-1-9-19-17(12)24-16/h1-9H,(H,20,22)
InChIKeyBGXYLYUFBUOJQB-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.97
Rot. Bonds3

About 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide (PubChem CID 5310112) has the molecular formula C17H10BrN3O2S and a molecular weight of 400.26 g/mol. Its IUPAC name is 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide
PubChem CID5310112
Molecular FormulaC17H10BrN3O2S
Molecular Weight400.26 g/mol
Exact Mass398.97
IUPAC Name5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1
InChIInChI=1S/C17H10BrN3O2S/c18-14-8-7-13(23-14)15(22)20-11-5-3-10(4-6-11)16-21-12-2-1-9-19-17(12)24-16/h1-9H,(H,20,22)
InChIKeyBGXYLYUFBUOJQB-UHFFFAOYSA-N
XLogP4.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-furamide
CID 983644
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
N-[4-(1,3-benzothiazol-2-yl)benzyl]-5-bromo-2-furamide
CID 1254658
N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide
CID 2215189
N-(3-{[1,3]Thiazolo[5,4-B]pyridin-2-YL}phenyl)furan-2-carboxamide
CID 3244574
N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 4336986
5-bromo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310501
N-(2-methyl-3-{[1,3]thiazolo[5,4-b]pyridin-2-yl}phenyl)furan-2-carboxamide
CID 5310508
5-bromo-N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156379
N-(2-methyl-5-{[1,3]thiazolo[5,4-b]pyridin-2-yl}phenyl)furan-2-carboxamide
CID 3244844
5-Bromo-N-(2-methyl-3-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)furan-2-carboxamide
CID 22517245
5-(((4-phenylthiazol-2-yl)thio)methyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 30859836

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide (CID 5310112) is 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is BGXYLYUFBUOJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2S/c18-14-8-7-13(23-14)15(22)20-11-5-3-10(4-6-11)16-21-12-2-1-9-19-17(12)24-16/h1-9H,(H,20,22).
What are the key properties of 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 400.26 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 5310112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).