(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine

C13H14N2S — CID 119086097

IUPAC(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine
SMILESCCC/C=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H14N2S/c1-2-3-9-14-13-15-12(10-16-13)11-7-5-4-6-8-11/h4-10H,2-3H2,1H3/b14-9+
InChIKeySXSCQZFOOSQTOX-NTEUORMPSA-N
MW230.34 g/mol
LogP4.31
Rot. Bonds4

About (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine

(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine (PubChem CID 119086097) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine
PubChem CID119086097
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine
SMILESCCC/C=N/c1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H14N2S/c1-2-3-9-14-13-15-12(10-16-13)11-7-5-4-6-8-11/h4-10H,2-3H2,1H3/b14-9+
InChIKeySXSCQZFOOSQTOX-NTEUORMPSA-N
XLogP4.31
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);zinc
CID 135539792
cobalt;bis(2-[(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol)
CID 5225465
nickel(2+);bis(2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate)
CID 170905301
1-(3,4-dimethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 35580173
cobalt;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol;2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenolate
CID 138395289
N'-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N,N-diethylmethanimidamide
CID 23878040
2-(3-ethoxypentan-3-yl)-4-phenyl-1,3-thiazole
CID 116782667
bis(4-bromo-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol);nickel
CID 135539795
N-[N'-(4-phenyl-1,3-thiazol-2-yl)carbamimidoyl]propanamide
CID 86232450
5-bromo-2-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol
CID 135489146
N'-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanimidamide
CID 4653684
1-(5-nitrofuran-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)methanimine
CID 23967821

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine?
The IUPAC name of (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine (CID 119086097) is (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine.
What is the SMILES notation for (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine?
The canonical SMILES for (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine is CCC/C=N/c1nc(-c2ccccc2)cs1.
What is the InChIKey of (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine?
The InChIKey is SXSCQZFOOSQTOX-NTEUORMPSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-3-9-14-13-15-12(10-16-13)11-7-5-4-6-8-11/h4-10H,2-3H2,1H3/b14-9+.
What are the key properties of (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine?
(E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine has a molecular weight of 230.34 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-phenyl-1,3-thiazol-2-yl)butan-1-imine is sourced from PubChem (CID 119086097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).