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

C17H15BrN2O3S — CID 7119208

IUPAC5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccc(Br)o3)cs2)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-22-13-4-2-11(3-5-13)17-20-12(10-24-17)8-9-19-16(21)14-6-7-15(18)23-14/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyKRZWGKCVXCIBMH-UHFFFAOYSA-N
MW407.29 g/mol
LogP4.15
Rot. Bonds6

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

5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (PubChem CID 7119208) has the molecular formula C17H15BrN2O3S and a molecular weight of 407.29 g/mol. Its IUPAC name is 5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
PubChem CID7119208
Molecular FormulaC17H15BrN2O3S
Molecular Weight407.29 g/mol
Exact Mass406.00
IUPAC Name5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc(CCNC(=O)c3ccc(Br)o3)cs2)cc1
InChIInChI=1S/C17H15BrN2O3S/c1-22-13-4-2-11(3-5-13)17-20-12(10-24-17)8-9-19-16(21)14-6-7-15(18)23-14/h2-7,10H,8-9H2,1H3,(H,19,21)
InChIKeyKRZWGKCVXCIBMH-UHFFFAOYSA-N
XLogP4.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 54.15
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-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (CID 7119208) is 5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is COc1ccc(-c2nc(CCNC(=O)c3ccc(Br)o3)cs2)cc1.
What is the InChIKey of 5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The InChIKey is KRZWGKCVXCIBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3S/c1-22-13-4-2-11(3-5-13)17-20-12(10-24-17)8-9-19-16(21)14-6-7-15(18)23-14/h2-7,10H,8-9H2,1H3,(H,19,21).
What are the key properties of 5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
5-bromo-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide has a molecular weight of 407.29 g/mol, XLogP of 4.15, 6 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-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7119208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).