2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine

C12H12Cl2N2S — CID 82515973

IUPAC2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl2N2S/c1-12(2,15)10-6-17-11(16-10)8-4-3-7(13)5-9(8)14/h3-6H,15H2,1-2H3
InChIKeyZQPNDZLRGTXIJG-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.31
Rot. Bonds2

About 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 82515973) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID82515973
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl2N2S/c1-12(2,15)10-6-17-11(16-10)8-4-3-7(13)5-9(8)14/h3-6H,15H2,1-2H3
InChIKeyZQPNDZLRGTXIJG-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892139
2-[2-(2,3,4-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888112
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82191246
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119187773
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
methyl 2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoate
CID 71884537
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-ynylacetamide
CID 49015977
2-[[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 146248240
2-[2-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888092
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82516097
4-(2,4-dichlorophenyl)-1,3-thiazole
CID 4009904
4-chloro-2-(4-methyl-1,3-thiazol-2-yl)aniline
CID 82473391

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine (CID 82515973) is 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine is CC(C)(N)c1csc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is ZQPNDZLRGTXIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-12(2,15)10-6-17-11(16-10)8-4-3-7(13)5-9(8)14/h3-6H,15H2,1-2H3.
What are the key properties of 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 287.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 82515973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).