1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

C15H18Cl2N2S — CID 61332341

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2S/c1-15(2,3)11-8-20-14(19-11)13(18-4)9-6-5-7-10(16)12(9)17/h5-8,13,18H,1-4H3
InChIKeyWPHWLURQUUVZQC-UHFFFAOYSA-N
MW329.30 g/mol
LogP5.06
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (PubChem CID 61332341) has the molecular formula C15H18Cl2N2S and a molecular weight of 329.30 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
PubChem CID61332341
Molecular FormulaC15H18Cl2N2S
Molecular Weight329.30 g/mol
Exact Mass328.06
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1nc(C(C)(C)C)cs1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2S/c1-15(2,3)11-8-20-14(19-11)13(18-4)9-6-5-7-10(16)12(9)17/h5-8,13,18H,1-4H3
InChIKeyWPHWLURQUUVZQC-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine 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

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 114488399
1-(5-bromo-2-methoxyphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61332934
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105015930
N-[(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]propan-2-amine
CID 61334246
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(2,3-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483845
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
CID 61335853
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62122089
1-(4-bromo-3-methylphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 66481594
2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol
CID 97031304

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (CID 61332341) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine is CNC(c1nc(C(C)(C)C)cs1)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The InChIKey is WPHWLURQUUVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2S/c1-15(2,3)11-8-20-14(19-11)13(18-4)9-6-5-7-10(16)12(9)17/h5-8,13,18H,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine has a molecular weight of 329.30 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 61332341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).