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

C14H8Br2N2O2S — CID 1407187

IUPAC5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C14H8Br2N2O2S/c15-9-3-1-8(2-4-9)10-7-21-14(17-10)18-13(19)11-5-6-12(16)20-11/h1-7H,(H,17,18,19)
InChIKeyOEAXTSSMHCTMDU-UHFFFAOYSA-N
MW428.11 g/mol
LogP5.18
Rot. Bonds3

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

5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 1407187) has the molecular formula C14H8Br2N2O2S and a molecular weight of 428.11 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID1407187
Molecular FormulaC14H8Br2N2O2S
Molecular Weight428.11 g/mol
Exact Mass425.87
IUPAC Name5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Br)o1
InChIInChI=1S/C14H8Br2N2O2S/c15-9-3-1-8(2-4-9)10-7-21-14(17-10)18-13(19)11-5-6-12(16)20-11/h1-7H,(H,17,18,19)
InChIKeyOEAXTSSMHCTMDU-UHFFFAOYSA-N
XLogP5.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.11
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
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CID 1407284
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888356
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19413597
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
5-chloro-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 39768846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 1407187) is 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is OEAXTSSMHCTMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O2S/c15-9-3-1-8(2-4-9)10-7-21-14(17-10)18-13(19)11-5-6-12(16)20-11/h1-7H,(H,17,18,19).
What are the key properties of 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 428.11 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 1407187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).