[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine

C12H14BrN3S — CID 105195489

IUPAC[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1)Cc1cncs1
InChIInChI=1S/C12H14BrN3S/c13-10-3-1-9(2-4-10)5-11(16-14)6-12-7-15-8-17-12/h1-4,7-8,11,16H,5-6,14H2
InChIKeyFUYAICQFFGWYQM-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.52
Rot. Bonds5

About [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine

[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine (PubChem CID 105195489) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
PubChem CID105195489
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Br)cc1)Cc1cncs1
InChIInChI=1S/C12H14BrN3S/c13-10-3-1-9(2-4-10)5-11(16-14)6-12-7-15-8-17-12/h1-4,7-8,11,16H,5-6,14H2
InChIKeyFUYAICQFFGWYQM-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-bromophenyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105195629
[1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105206643
1-(4-bromophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62760159
[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105205632
[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197753
[1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105331931
[1-cyclopropyl-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105254030
1-(4-methoxyphenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 115979174
[1-(4-bromophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-yl]hydrazine
CID 105195480
[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141
[1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151746
[4-(furan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105331967

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine (CID 105195489) is [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine is NNC(Cc1ccc(Br)cc1)Cc1cncs1.
What is the InChIKey of [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine?
The InChIKey is FUYAICQFFGWYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-10-3-1-9(2-4-10)5-11(16-14)6-12-7-15-8-17-12/h1-4,7-8,11,16H,5-6,14H2.
What are the key properties of [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine?
[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine has a molecular weight of 312.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105195489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).