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

C16H13BrN2O2S — CID 118514569

IUPAC4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cc(Br)co1
InChIInChI=1S/C16H13BrN2O2S/c17-12-8-14(21-9-12)15(20)18-7-6-13-10-22-16(19-13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyCBHMSSSIXUDSMF-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.14
Rot. Bonds5

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

4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 118514569) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID118514569
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1cc(Br)co1
InChIInChI=1S/C16H13BrN2O2S/c17-12-8-14(21-9-12)15(20)18-7-6-13-10-22-16(19-13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyCBHMSSSIXUDSMF-UHFFFAOYSA-N
XLogP4.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (CID 118514569) is 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1cc(Br)co1.
What is the InChIKey of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is CBHMSSSIXUDSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c17-12-8-14(21-9-12)15(20)18-7-6-13-10-22-16(19-13)11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,20).
What are the key properties of 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide has a molecular weight of 377.26 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 118514569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).