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'}

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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).