2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C18H15BrN4OS — CID 24865533

IUPAC2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN/N=C/c1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15BrN4OS/c19-15-8-6-13(7-9-15)10-20-21-11-17(24)23-18-22-16(12-25-18)14-4-2-1-3-5-14/h1-10,12,21H,11H2,(H,22,23,24)/b20-10+
InChIKeyZMCBGJQTROGZKS-KEBDBYFISA-N
MW415.32 g/mol
LogP4.13
Rot. Bonds6

About 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 24865533) has the molecular formula C18H15BrN4OS and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID24865533
Molecular FormulaC18H15BrN4OS
Molecular Weight415.32 g/mol
Exact Mass414.01
IUPAC Name2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(CN/N=C/c1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H15BrN4OS/c19-15-8-6-13(7-9-15)10-20-21-11-17(24)23-18-22-16(12-25-18)14-4-2-1-3-5-14/h1-10,12,21H,11H2,(H,22,23,24)/b20-10+
InChIKeyZMCBGJQTROGZKS-KEBDBYFISA-N
XLogP4.13
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
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

2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865723
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-(1,3-benzothiazol-2-yl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]acetamide
CID 25140302
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
4-[(Z)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoate
CID 7822015
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
1-benzhydryl-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]urea
CID 121082218
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 24865533) is 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=C(CN/N=C/c1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is ZMCBGJQTROGZKS-KEBDBYFISA-N. The full InChI is InChI=1S/C18H15BrN4OS/c19-15-8-6-13(7-9-15)10-20-21-11-17(24)23-18-22-16(12-25-18)14-4-2-1-3-5-14/h1-10,12,21H,11H2,(H,22,23,24)/b20-10+.
What are the key properties of 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 415.32 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 24865533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).