N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine

C14H16Cl2N2OS — CID 23989805

IUPACN-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine
SMILESCOCC(C)n1c(C)cs/c1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2OS/c1-9(7-19-3)18-10(2)8-20-14(18)17-11-4-5-12(15)13(16)6-11/h4-6,8-9H,7H2,1-3H3/b17-14-
InChIKeyGVMHPPBHXICBMC-VKAVYKQESA-N
MW331.27 g/mol
LogP4.60
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine

N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine (PubChem CID 23989805) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine
PubChem CID23989805
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC NameN-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine
SMILESCOCC(C)n1c(C)cs/c1=N\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2OS/c1-9(7-19-3)18-10(2)8-20-14(18)17-11-4-5-12(15)13(16)6-11/h4-6,8-9H,7H2,1-3H3/b17-14-
InChIKeyGVMHPPBHXICBMC-VKAVYKQESA-N
XLogP4.60
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine (CID 23989805) is N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine is COCC(C)n1c(C)cs/c1=N\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine?
The InChIKey is GVMHPPBHXICBMC-VKAVYKQESA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c1-9(7-19-3)18-10(2)8-20-14(18)17-11-4-5-12(15)13(16)6-11/h4-6,8-9H,7H2,1-3H3/b17-14-.
What are the key properties of N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine?
N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine has a molecular weight of 331.27 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(1-methoxypropan-2-yl)-4-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23989805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).