N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

C19H13BrN2O3S — CID 40888356

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)oc12
InChIInChI=1S/C19H13BrN2O3S/c1-24-15-4-2-3-12-9-16(25-17(12)15)18(23)22-19-21-14(10-26-19)11-5-7-13(20)8-6-11/h2-10H,1H3,(H,21,22,23)
InChIKeyNXLPFJQFGAYKHO-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.58
Rot. Bonds4

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 40888356) has the molecular formula C19H13BrN2O3S and a molecular weight of 429.30 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID40888356
Molecular FormulaC19H13BrN2O3S
Molecular Weight429.30 g/mol
Exact Mass427.98
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)oc12
InChIInChI=1S/C19H13BrN2O3S/c1-24-15-4-2-3-12-9-16(25-17(12)15)18(23)22-19-21-14(10-26-19)11-5-7-13(20)8-6-11/h2-10H,1H3,(H,21,22,23)
InChIKeyNXLPFJQFGAYKHO-UHFFFAOYSA-N
XLogP5.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888387
7-methoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40888378
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40946611
7-ethoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888778
N-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888822
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
5-bromo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 19225419
8-methoxy-2-(3-methylphenyl)imino-N-(4-phenyl-1,3-thiazol-2-yl)chromene-3-carboxamide
CID 3993915
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
2,6-dimethoxy-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5074710

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 40888356) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)oc12.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is NXLPFJQFGAYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O3S/c1-24-15-4-2-3-12-9-16(25-17(12)15)18(23)22-19-21-14(10-26-19)11-5-7-13(20)8-6-11/h2-10H,1H3,(H,21,22,23).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 429.30 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40888356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).