N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C11H13ClN2S — CID 2378239

IUPACN-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccccc2Cl)=N1
InChIInChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyLTTMYELKHGQRAP-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.63
Rot. Bonds1

About N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 2378239) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID2378239
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC NameN-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2ccccc2Cl)=N1
InChIInChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyLTTMYELKHGQRAP-UHFFFAOYSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-4,4-dimethyl-5H-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-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 2378239) is N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2ccccc2Cl)=N1.
What is the InChIKey of N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is LTTMYELKHGQRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-11(2)7-15-10(14-11)13-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 240.76 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 2378239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).