N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine

C14H16Cl2N2S — CID 2798329

IUPACN-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine
SMILESC=C1SC(Nc2cc(Cl)cc(Cl)c2)=NC1(CC)CC
InChIInChI=1S/C14H16Cl2N2S/c1-4-14(5-2)9(3)19-13(18-14)17-12-7-10(15)6-11(16)8-12/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeySNVVYOGHBGSHEM-UHFFFAOYSA-N
MW315.27 g/mol
LogP5.58
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine

N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine (PubChem CID 2798329) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine
PubChem CID2798329
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC NameN-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine
SMILESC=C1SC(Nc2cc(Cl)cc(Cl)c2)=NC1(CC)CC
InChIInChI=1S/C14H16Cl2N2S/c1-4-14(5-2)9(3)19-13(18-14)17-12-7-10(15)6-11(16)8-12/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeySNVVYOGHBGSHEM-UHFFFAOYSA-N
XLogP5.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.27
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine 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-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine (CID 2798329) is N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine is C=C1SC(Nc2cc(Cl)cc(Cl)c2)=NC1(CC)CC.
What is the InChIKey of N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine?
The InChIKey is SNVVYOGHBGSHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-4-14(5-2)9(3)19-13(18-14)17-12-7-10(15)6-11(16)8-12/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine has a molecular weight of 315.27 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4,4-diethyl-5-methylidene-1,3-thiazol-2-amine is sourced from PubChem (CID 2798329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).