N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine

C12H12Cl2N2S — CID 79046612

IUPACN-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine
SMILESCCC(Nc1nccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2S/c1-2-11(16-12-15-5-6-17-12)8-3-4-9(13)10(14)7-8/h3-7,11H,2H2,1H3,(H,15,16)
InChIKeyOEPKRZKOHVPHIB-UHFFFAOYSA-N
MW287.22 g/mol
LogP5.01
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine

N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine (PubChem CID 79046612) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine
PubChem CID79046612
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC NameN-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine
SMILESCCC(Nc1nccs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H12Cl2N2S/c1-2-11(16-12-15-5-6-17-12)8-3-4-9(13)10(14)7-8/h3-7,11H,2H2,1H3,(H,15,16)
InChIKeyOEPKRZKOHVPHIB-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.22
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dichlorophenyl)propyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648399
N-[1-(3-nitrophenyl)propyl]-1,3-thiazol-2-amine
CID 79046608
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
N'-[1-(3,4-dichlorophenyl)propyl]propane-1,3-diamine
CID 60888195
N-[1-(2-fluorophenyl)propyl]-1,3-thiazol-2-amine
CID 112677046
4-[1-(3,4-dichlorophenyl)propylamino]benzonitrile
CID 43763746
3-chloro-N-[1-(3,4-dichlorophenyl)propyl]-4-methoxyaniline
CID 43758094
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[1-(3,4-dichlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040767
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine (CID 79046612) is N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine is CCC(Nc1nccs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine?
The InChIKey is OEPKRZKOHVPHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-2-11(16-12-15-5-6-17-12)8-3-4-9(13)10(14)7-8/h3-7,11H,2H2,1H3,(H,15,16).
What are the key properties of N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine?
N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine has a molecular weight of 287.22 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79046612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).