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

C19H12Br2N2O2S — CID 19229440

IUPAC5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCc1sc(NC(=O)c2cc3cc(Br)ccc3o2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H12Br2N2O2S/c1-10-17(11-2-4-13(20)5-3-11)22-19(26-10)23-18(24)16-9-12-8-14(21)6-7-15(12)25-16/h2-9H,1H3,(H,22,23,24)
InChIKeyFEAVSVWPPXXMLJ-UHFFFAOYSA-N
MW492.19 g/mol
LogP6.64
Rot. Bonds3

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

5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 19229440) has the molecular formula C19H12Br2N2O2S and a molecular weight of 492.19 g/mol. Its IUPAC name is 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID19229440
Molecular FormulaC19H12Br2N2O2S
Molecular Weight492.19 g/mol
Exact Mass489.90
IUPAC Name5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCc1sc(NC(=O)c2cc3cc(Br)ccc3o2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H12Br2N2O2S/c1-10-17(11-2-4-13(20)5-3-11)22-19(26-10)23-18(24)16-9-12-8-14(21)6-7-15(12)25-16/h2-9H,1H3,(H,22,23,24)
InChIKeyFEAVSVWPPXXMLJ-UHFFFAOYSA-N
XLogP6.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19225426
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-triethoxybenzamide
CID 19211561
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26291818
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9094383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 19229440) is 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is Cc1sc(NC(=O)c2cc3cc(Br)ccc3o2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is FEAVSVWPPXXMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N2O2S/c1-10-17(11-2-4-13(20)5-3-11)22-19(26-10)23-18(24)16-9-12-8-14(21)6-7-15(12)25-16/h2-9H,1H3,(H,22,23,24).
What are the key properties of 5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
5-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 492.19 g/mol, XLogP of 6.64, 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)-5-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19229440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).