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

C14H16Cl2N2S — CID 103776206

IUPAC1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H16Cl2N2S/c1-9(13-4-3-11(15)7-14(13)16)17-6-5-12-8-19-10(2)18-12/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyRKDZCWWYQUTBDG-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.65
Rot. Bonds5

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

1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (PubChem CID 103776206) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
PubChem CID103776206
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
SMILESCc1nc(CCNC(C)c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C14H16Cl2N2S/c1-9(13-4-3-11(15)7-14(13)16)17-6-5-12-8-19-10(2)18-12/h3-4,7-9,17H,5-6H2,1-2H3
InChIKeyRKDZCWWYQUTBDG-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 106038911
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041357
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103777248
1-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777151
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178
4-methoxy-2-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]ethyl]phenol
CID 103913810
(1S)-1-(2,4-dichlorophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 9254406
4-[[1-(2,4-dichlorophenyl)ethylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103233985
1-(4-iodophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 103777228
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
1-(3-bromophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 113246949

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine (CID 103776206) is 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is Cc1nc(CCNC(C)c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
The InChIKey is RKDZCWWYQUTBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-9(13-4-3-11(15)7-14(13)16)17-6-5-12-8-19-10(2)18-12/h3-4,7-9,17H,5-6H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine?
1-(2,4-dichlorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine has a molecular weight of 315.27 g/mol, XLogP of 4.65, 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-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103776206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).