N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H20N2S2 — CID 23736772

IUPACN-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2C(C)C)c1C
InChIInChI=1S/C18H20N2S2/c1-12(2)20-16(17-9-6-10-21-17)11-22-18(20)19-15-8-5-7-13(3)14(15)4/h5-12H,1-4H3/b19-18-
InChIKeyIZQBZJBILICDCI-HNENSFHCSA-N
MW328.51 g/mol
LogP5.71
Rot. Bonds3

About N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23736772) has the molecular formula C18H20N2S2 and a molecular weight of 328.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23736772
Molecular FormulaC18H20N2S2
Molecular Weight328.51 g/mol
Exact Mass328.11
IUPAC NameN-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCc1cccc(/N=c2\scc(-c3cccs3)n2C(C)C)c1C
InChIInChI=1S/C18H20N2S2/c1-12(2)20-16(17-9-6-10-21-17)11-22-18(20)19-15-8-5-7-13(3)14(15)4/h5-12H,1-4H3/b19-18-
InChIKeyIZQBZJBILICDCI-HNENSFHCSA-N
XLogP5.71
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-3-propan-2-yl-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-[2-(2,3-dimethylphenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]propan-1-ol
CID 18581578
N-(2-fluorophenyl)-3-pentan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23936223
3-pentan-2-yl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23850785
3-(5-methylhexan-2-yl)-N-(2-nitrophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23769735
3-butan-2-yl-N-(3-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23993153
3-cyclopropyl-N-(2,3-dimethylphenyl)-4-(2-fluorophenyl)-1,3-thiazol-2-imine
CID 23771165
3-(cyclopentylideneamino)-N-(2-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3519073
2-[4-(4-chlorophenyl)-2-(2,3-dimethylphenyl)imino-1,3-thiazol-3-yl]ethanol;hydrobromide
CID 45135380
CID 67822914
CID 67822914
4-(2,5-dimethoxyphenyl)-N,3-bis(2,3-dimethylphenyl)-1,3-thiazol-2-imine
CID 4103059
2-[2-(2,3-dimethylphenyl)imino-4-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]-1,3-thiazol-3-yl]ethanol
CID 45135540
2-(2,6-dimethylphenyl)thiophene
CID 58838883

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23736772) is N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is Cc1cccc(/N=c2\scc(-c3cccs3)n2C(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is IZQBZJBILICDCI-HNENSFHCSA-N. The full InChI is InChI=1S/C18H20N2S2/c1-12(2)20-16(17-9-6-10-21-17)11-22-18(20)19-15-8-5-7-13(3)14(15)4/h5-12H,1-4H3/b19-18-.
What are the key properties of N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 328.51 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23736772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).