1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine

C14H17N3S — CID 105269689

IUPAC1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1nc(-c2ccccc2)cs1)NN
InChIInChI=1S/C14H17N3S/c1-2-6-12(17-15)9-14-16-13(10-18-14)11-7-4-3-5-8-11/h2-5,7-8,10,12,17H,1,6,9,15H2
InChIKeySOVYRNIUGBPROQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.76
Rot. Bonds6

About 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine

1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine (PubChem CID 105269689) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine
PubChem CID105269689
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1nc(-c2ccccc2)cs1)NN
InChIInChI=1S/C14H17N3S/c1-2-6-12(17-15)9-14-16-13(10-18-14)11-7-4-3-5-8-11/h2-5,7-8,10,12,17H,1,6,9,15H2
InChIKeySOVYRNIUGBPROQ-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633034
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819889
1-N,1-N,2-N-trimethyl-3-(4-phenyl-1,3-thiazol-2-yl)propane-1,2-diamine
CID 79818156
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
[1-(2-methylcyclopropyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105234902
N-methyl-1-[(2-methylpropan-2-yl)oxy]-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 105164397
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 79820051
[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105320678
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
4-methoxy-N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 79820048
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-3-thiophen-2-ylpropan-2-amine
CID 79825369
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine?
The IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine (CID 105269689) is 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine is C=CCC(Cc1nc(-c2ccccc2)cs1)NN.
What is the InChIKey of 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine?
The InChIKey is SOVYRNIUGBPROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-6-12(17-15)9-14-16-13(10-18-14)11-7-4-3-5-8-11/h2-5,7-8,10,12,17H,1,6,9,15H2.
What are the key properties of 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine?
1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine has a molecular weight of 259.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-thiazol-2-yl)pent-4-en-2-ylhydrazine is sourced from PubChem (CID 105269689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).