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

C14H16Cl2N2S — CID 63279983

IUPAC1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1scnc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-3-13(11-5-4-10(15)6-12(11)16)17-7-14-9(2)18-8-19-14/h4-6,8,13,17H,3,7H2,1-2H3
InChIKeyRRFZWEJACQCMRF-UHFFFAOYSA-N
MW315.27 g/mol
LogP5.00
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 63279983) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID63279983
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1scnc1C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2S/c1-3-13(11-5-4-10(15)6-12(11)16)17-7-14-9(2)18-8-19-14/h4-6,8,13,17H,3,7H2,1-2H3
InChIKeyRRFZWEJACQCMRF-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 62996327
1-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43503353
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 55170716
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
1-[4-(difluoromethoxy)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 75383153
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111100780
N-[1-(2,4-dichlorophenyl)propyl]-N',N'-dimethylethane-1,2-diamine
CID 43503257
(2,4-dichlorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101852
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
1-(2,4-dichlorophenyl)-N-(2-ethoxyethyl)propan-1-amine
CID 43590907
1-[[1-(2,4-dichlorophenyl)propylamino]methyl]cyclopentan-1-ol
CID 65105429

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 63279983) is 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCC(NCc1scnc1C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is RRFZWEJACQCMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-3-13(11-5-4-10(15)6-12(11)16)17-7-14-9(2)18-8-19-14/h4-6,8,13,17H,3,7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
1-(2,4-dichlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 315.27 g/mol, XLogP of 5.00, 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-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63279983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).