N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

C17H14BrN3O2S — CID 9029531

IUPACN-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)N/N=C\c2ccc(-c3ccccc3Br)o2)n1
InChIInChI=1S/C17H14BrN3O2S/c1-11-10-24-17(20-11)8-16(22)21-19-9-12-6-7-15(23-12)13-4-2-3-5-14(13)18/h2-7,9-10H,8H2,1H3,(H,21,22)/b19-9-
InChIKeyKBYFMFNCQTWFQN-OCKHKDLRSA-N
MW404.29 g/mol
LogP4.17
Rot. Bonds5

About N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide

N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 9029531) has the molecular formula C17H14BrN3O2S and a molecular weight of 404.29 g/mol. Its IUPAC name is N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID9029531
Molecular FormulaC17H14BrN3O2S
Molecular Weight404.29 g/mol
Exact Mass403.00
IUPAC NameN-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(CC(=O)N/N=C\c2ccc(-c3ccccc3Br)o2)n1
InChIInChI=1S/C17H14BrN3O2S/c1-11-10-24-17(20-11)8-16(22)21-19-9-12-6-7-15(23-12)13-4-2-3-5-14(13)18/h2-7,9-10H,8H2,1H3,(H,21,22)/b19-9-
InChIKeyKBYFMFNCQTWFQN-OCKHKDLRSA-N
XLogP4.17
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029572
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 9059991
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029239
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881360
(NZ)-N-[[5-(2-bromophenyl)furan-2-yl]methylidene]hydroxylamine
CID 5424769
methyl 2-[5-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126254581
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657677
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029664
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
CID 5052824
3-[5-[(E)-[(2-benzo[e][1]benzofuran-2-ylacetyl)hydrazinylidene]methyl]furan-2-yl]-4-methylbenzoic acid
CID 57329839

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 9029531) is N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(CC(=O)N/N=C\c2ccc(-c3ccccc3Br)o2)n1.
What is the InChIKey of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KBYFMFNCQTWFQN-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H14BrN3O2S/c1-11-10-24-17(20-11)8-16(22)21-19-9-12-6-7-15(23-12)13-4-2-3-5-14(13)18/h2-7,9-10H,8H2,1H3,(H,21,22)/b19-9-.
What are the key properties of N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 404.29 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 9029531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).