N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

C16H20Cl2N2S — CID 63447093

IUPACN-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(Cc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C16H20Cl2N2S/c1-4-7-19-10(2)16-11(3)20-15(21-16)8-12-5-6-13(17)9-14(12)18/h5-6,9-10,19H,4,7-8H2,1-3H3
InChIKeyVTROAQUNXUMRAV-UHFFFAOYSA-N
MW343.32 g/mol
LogP5.41
Rot. Bonds6

About N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 63447093) has the molecular formula C16H20Cl2N2S and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID63447093
Molecular FormulaC16H20Cl2N2S
Molecular Weight343.32 g/mol
Exact Mass342.07
IUPAC NameN-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1sc(Cc2ccc(Cl)cc2Cl)nc1C
InChIInChI=1S/C16H20Cl2N2S/c1-4-7-19-10(2)16-11(3)20-15(21-16)8-12-5-6-13(17)9-14(12)18/h5-6,9-10,19H,4,7-8H2,1-3H3
InChIKeyVTROAQUNXUMRAV-UHFFFAOYSA-N
XLogP5.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.32
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

N-[1-[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61280533
N-[1-[2-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022260
N-[1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61286985
N-[[2-[(2,4-dichlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841447
N-[1-[4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 66088179
N-[1-[2-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 107922728
N-[(2,5-dichlorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 65315816
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 61287183
4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 61295837
2-[(2,4-dichlorophenyl)methyl]-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63486136

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 63447093) is N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1sc(Cc2ccc(Cl)cc2Cl)nc1C.
What is the InChIKey of N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is VTROAQUNXUMRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2S/c1-4-7-19-10(2)16-11(3)20-15(21-16)8-12-5-6-13(17)9-14(12)18/h5-6,9-10,19H,4,7-8H2,1-3H3.
What are the key properties of N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 343.32 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63447093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).