[(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea

C15H13BrN4S — CID 73211904

IUPAC[(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C15H13BrN4S/c16-12-7-4-11(5-8-12)6-9-14(19-20-15(17)21)13-3-1-2-10-18-13/h1-10H,(H3,17,20,21)/b9-6+,19-14-
InChIKeyZRQODQPRMUIYFK-UBKSGNPESA-N
MW361.27 g/mol
LogP3.09
Rot. Bonds4

About [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea

[(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea (PubChem CID 73211904) has the molecular formula C15H13BrN4S and a molecular weight of 361.27 g/mol. Its IUPAC name is [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea
PubChem CID73211904
Molecular FormulaC15H13BrN4S
Molecular Weight361.27 g/mol
Exact Mass360.00
IUPAC Name[(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea
SMILESNC(=S)N/N=C(/C=C/c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C15H13BrN4S/c16-12-7-4-11(5-8-12)6-9-14(19-20-15(17)21)13-3-1-2-10-18-13/h1-10H,(H3,17,20,21)/b9-6+,19-14-
InChIKeyZRQODQPRMUIYFK-UBKSGNPESA-N
XLogP3.09
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aluminum (1-pyridin-2-ylethylideneamino)thiourea
CID 50910891
(1-pyridin-2-ylethylideneamino)thiourea;rhodium
CID 175077366
[(Z)-[(E)-1-(4-methylphenyl)-3-phenylprop-2-enylidene]amino]thiourea
CID 54576742
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-methylthiourea
CID 54757236
[[4H-azepin-7-yl(pyridin-2-yl)methylidene]amino]thiourea
CID 123192345
[(E)-[1-[2-(2-acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-phenylprop-2-enylidene]amino]thiourea
CID 135751885
1-[(E)-[(4-bromophenyl)-pyridin-2-ylmethylidene]amino]-3-ethylthiourea
CID 54757237
pyridine-2-carbothioamide;hydrochloride
CID 57440257
[(Z)-pyridin-2-ylmethylideneamino]thiourea
CID 5354113
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 4685121
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea?
The IUPAC name of [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea (CID 73211904) is [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea is NC(=S)N/N=C(/C=C/c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea?
The InChIKey is ZRQODQPRMUIYFK-UBKSGNPESA-N. The full InChI is InChI=1S/C15H13BrN4S/c16-12-7-4-11(5-8-12)6-9-14(19-20-15(17)21)13-3-1-2-10-18-13/h1-10H,(H3,17,20,21)/b9-6+,19-14-.
What are the key properties of [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea?
[(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea has a molecular weight of 361.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(E)-3-(4-bromophenyl)-1-pyridin-2-ylprop-2-enylidene]amino]thiourea is sourced from PubChem (CID 73211904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).