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

C14H16Cl2N2S — CID 103787028

IUPAC1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C14H16Cl2N2S/c1-3-10-7-18-13(19-10)8-17-9(2)11-5-4-6-12(15)14(11)16/h4-7,9,17H,3,8H2,1-2H3
InChIKeyJOWBFIFVHBSLPP-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.86
Rot. Bonds5

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

1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 103787028) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID103787028
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCc1cnc(CNC(C)c2cccc(Cl)c2Cl)s1
InChIInChI=1S/C14H16Cl2N2S/c1-3-10-7-18-13(19-10)8-17-9(2)11-5-4-6-12(15)14(11)16/h4-7,9,17H,3,8H2,1-2H3
InChIKeyJOWBFIFVHBSLPP-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine
CID 103729895
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
1-(2,5-dimethylthiophen-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787022
1-(2,3-dichlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 103777778
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
N'-[(1S)-1-(2,3-dichlorophenyl)ethyl]ethane-1,2-diamine
CID 129414495
4-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pentan-1-ol
CID 115972418
1-(2,3-dichlorophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 70118034
1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787139
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine (CID 103787028) is 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is CCc1cnc(CNC(C)c2cccc(Cl)c2Cl)s1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is JOWBFIFVHBSLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2S/c1-3-10-7-18-13(19-10)8-17-9(2)11-5-4-6-12(15)14(11)16/h4-7,9,17H,3,8H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine?
1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 315.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103787028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).