3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H20N2OS2 — CID 23735643

IUPAC3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCCCCn1c(-c2cccs2)cs/c1=N\c1cccc(OC)c1
InChIInChI=1S/C18H20N2OS2/c1-3-4-10-20-16(17-9-6-11-22-17)13-23-18(20)19-14-7-5-8-15(12-14)21-2/h5-9,11-13H,3-4,10H2,1-2H3/b19-18-
InChIKeyZJIKEBMSIYXKQS-HNENSFHCSA-N
MW344.51 g/mol
LogP5.32
Rot. Bonds6

About 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine

3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23735643) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23735643
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC Name3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCCCCn1c(-c2cccs2)cs/c1=N\c1cccc(OC)c1
InChIInChI=1S/C18H20N2OS2/c1-3-4-10-20-16(17-9-6-11-22-17)13-23-18(20)19-14-7-5-8-15(12-14)21-2/h5-9,11-13H,3-4,10H2,1-2H3/b19-18-
InChIKeyZJIKEBMSIYXKQS-HNENSFHCSA-N
XLogP5.32
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-N-(4-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23762274
3-butan-2-yl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23993153
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23911708
N-(4-methoxyphenyl)-3-pentyl-4-phenyl-1,3-thiazol-2-imine
CID 18812697
3-(3-imidazol-1-ylpropyl)-4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-1,3-thiazol-2-imine
CID 23940294
N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23857374
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956
4-(4-bromophenyl)-N-(3-methoxyphenyl)-3-methyl-1,3-thiazol-2-imine
CID 1371436
3-butyl-N-(3,4-dimethylphenyl)-4-(furan-2-yl)-1,3-thiazol-2-imine
CID 23829109
4-(3-methoxyphenyl)-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392716
4-(4-fluorophenyl)-3-pentyl-N-phenyl-1,3-thiazol-2-imine
CID 3736483

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23735643) is 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is CCCCn1c(-c2cccs2)cs/c1=N\c1cccc(OC)c1.
What is the InChIKey of 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is ZJIKEBMSIYXKQS-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-3-4-10-20-16(17-9-6-11-22-17)13-23-18(20)19-14-7-5-8-15(12-14)21-2/h5-9,11-13H,3-4,10H2,1-2H3/b19-18-.
What are the key properties of 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 344.51 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23735643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).