N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine

C21H24N2OS — CID 18812697

IUPACN-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
SMILESCCCCCn1c(-c2ccccc2)cs/c1=N\c1ccc(OC)cc1
InChIInChI=1S/C21H24N2OS/c1-3-4-8-15-23-20(17-9-6-5-7-10-17)16-25-21(23)22-18-11-13-19(24-2)14-12-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3/b22-21-
InChIKeyLPWMBTMKYKPQGH-DQRAZIAOSA-N
MW352.50 g/mol
LogP5.65
Rot. Bonds7

About N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine

N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine (PubChem CID 18812697) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
PubChem CID18812697
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
SMILESCCCCCn1c(-c2ccccc2)cs/c1=N\c1ccc(OC)cc1
InChIInChI=1S/C21H24N2OS/c1-3-4-8-15-23-20(17-9-6-5-7-10-17)16-25-21(23)22-18-11-13-19(24-2)14-12-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3/b22-21-
InChIKeyLPWMBTMKYKPQGH-DQRAZIAOSA-N
XLogP5.65
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine (CID 18812697) is N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine is CCCCCn1c(-c2ccccc2)cs/c1=N\c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine?
The InChIKey is LPWMBTMKYKPQGH-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-3-4-8-15-23-20(17-9-6-5-7-10-17)16-25-21(23)22-18-11-13-19(24-2)14-12-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3/b22-21-.
What are the key properties of N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine?
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine has a molecular weight of 352.50 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 18812697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).