2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide

C15H12BrN5O2S — CID 5052824

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)s1
InChIInChI=1S/C15H12BrN5O2S/c16-10-3-1-9(2-4-10)12-6-5-11(23-12)8-18-19-13(22)7-14-20-21-15(17)24-14/h1-6,8H,7H2,(H2,17,21)(H,19,22)
InChIKeyMRHBGPXXORCANR-UHFFFAOYSA-N
MW406.27 g/mol
LogP2.84
Rot. Bonds5

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 5052824) has the molecular formula C15H12BrN5O2S and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID5052824
Molecular FormulaC15H12BrN5O2S
Molecular Weight406.27 g/mol
Exact Mass404.99
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)s1
InChIInChI=1S/C15H12BrN5O2S/c16-10-3-1-9(2-4-10)12-6-5-11(23-12)8-18-19-13(22)7-14-20-21-15(17)24-14/h1-6,8H,7H2,(H2,17,21)(H,19,22)
InChIKeyMRHBGPXXORCANR-UHFFFAOYSA-N
XLogP2.84
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(4-bromonaphthalen-1-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide
CID 3879614
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(5-bromofuran-2-yl)methylideneamino]acetamide
CID 19204425
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-3-morpholin-4-ylpropanamide
CID 3096595
2-(4-bromoanilino)-N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126355492
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 714368
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135699257
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
CID 5409751
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 19578276
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 25251554
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
4-[5-[(Z)-[[2-(4-methylphenyl)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126364419
N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4088796

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide (CID 5052824) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide is Nc1nnc(CC(=O)NN=Cc2ccc(-c3ccc(Br)cc3)o2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is MRHBGPXXORCANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O2S/c16-10-3-1-9(2-4-10)12-6-5-11(23-12)8-18-19-13(22)7-14-20-21-15(17)24-14/h1-6,8H,7H2,(H2,17,21)(H,19,22).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 406.27 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[5-(4-bromophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 5052824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).