1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine

C13H14Cl2N2S — CID 79824685

IUPAC1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-16-11(8-13-17-4-5-18-13)6-9-2-3-10(14)7-12(9)15/h2-5,7,11,16H,6,8H2,1H3
InChIKeyRXMFABFTIQVDRG-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.82
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine

1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 79824685) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID79824685
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
SMILESCNC(Cc1nccs1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-16-11(8-13-17-4-5-18-13)6-9-2-3-10(14)7-12(9)15/h2-5,7,11,16H,6,8H2,1H3
InChIKeyRXMFABFTIQVDRG-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824912
1-(2,4-dichlorophenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824781
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 82806378
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2,4-dichlorophenyl)-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 63412977
1-(2-chloro-4-methylphenyl)-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 106868100
1-(2,4-dichlorophenyl)-N,6-dimethylheptan-2-amine
CID 83161129
1-[5-chloro-2-(1,3-thiazol-2-ylmethyl)phenyl]-N-methylmethanamine
CID 79824960
2-(methylamino)-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 20699494
1-(2,4-dichlorophenyl)-N-methyl-3-methylsulfonylpropan-2-amine
CID 55093519
1-(4-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824027
N-[(2,4-dichlorophenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 63598627

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine (CID 79824685) is 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is CNC(Cc1nccs1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is RXMFABFTIQVDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-16-11(8-13-17-4-5-18-13)6-9-2-3-10(14)7-12(9)15/h2-5,7,11,16H,6,8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine?
1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 301.24 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 79824685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).