[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine

C13H17N3S — CID 105205632

IUPAC[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccccc1)Cc1cncs1
InChIInChI=1S/C13H17N3S/c14-16-12(8-13-9-15-10-17-13)7-6-11-4-2-1-3-5-11/h1-5,9-10,12,16H,6-8,14H2
InChIKeyBBEIVFJJZUPGJS-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.15
Rot. Bonds6

About [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine

[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine (PubChem CID 105205632) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
PubChem CID105205632
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccccc1)Cc1cncs1
InChIInChI=1S/C13H17N3S/c14-16-12(8-13-9-15-10-17-13)7-6-11-4-2-1-3-5-11/h1-5,9-10,12,16H,6-8,14H2
InChIKeyBBEIVFJJZUPGJS-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.15
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

[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141
[4-(furan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105331967
(4-phenyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105205766
[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105299352
[1-(4-bromophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105195489
(4-phenyl-1-thiophen-3-ylbutan-2-yl)hydrazine
CID 105205761
[1-(4-methylphenyl)-4-phenylbutan-2-yl]hydrazine
CID 105205750
4-(2-methylphenyl)-N-propyl-1-(1,3-thiazol-5-yl)butan-2-amine
CID 105178082
[1-(3,5-difluorophenyl)-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105206643
[1-cyclopropyl-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105254030
[1-(1,3-thiazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151746
[1-propan-2-yloxy-3-(1,3-thiazol-5-yl)propan-2-yl]hydrazine
CID 105331931

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The IUPAC name of [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine (CID 105205632) is [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine is NNC(CCc1ccccc1)Cc1cncs1.
What is the InChIKey of [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
The InChIKey is BBEIVFJJZUPGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c14-16-12(8-13-9-15-10-17-13)7-6-11-4-2-1-3-5-11/h1-5,9-10,12,16H,6-8,14H2.
What are the key properties of [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine?
[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine has a molecular weight of 247.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105205632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).