2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

C14H17Cl2N3S — CID 107312365

IUPAC2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cccc(Cl)c1Cl)NC
InChIInChI=1S/C14H17Cl2N3S/c1-3-5-11-14(20-19-18-11)12(17-2)8-9-6-4-7-10(15)13(9)16/h4,6-7,12,17H,3,5,8H2,1-2H3
InChIKeyQSEDXEWEBKKNEV-UHFFFAOYSA-N
MW330.28 g/mol
LogP4.30
Rot. Bonds6

About 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 107312365) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID107312365
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1cccc(Cl)c1Cl)NC
InChIInChI=1S/C14H17Cl2N3S/c1-3-5-11-14(20-19-18-11)12(17-2)8-9-6-4-7-10(15)13(9)16/h4,6-7,12,17H,3,5,8H2,1-2H3
InChIKeyQSEDXEWEBKKNEV-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105151334
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 106867932
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
2-(2,3-dichlorophenyl)-1-(furan-2-yl)-N-methylethanamine
CID 107308555
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
2-(2,3-dichlorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 107312240
2-(2,3-dichlorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 107311946
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105114391
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
2-(2,3-dichlorophenyl)-1-(5-iodothiophen-3-yl)-N-methylethanamine
CID 107312247

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 107312365) is 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1cccc(Cl)c1Cl)NC.
What is the InChIKey of 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is QSEDXEWEBKKNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3S/c1-3-5-11-14(20-19-18-11)12(17-2)8-9-6-4-7-10(15)13(9)16/h4,6-7,12,17H,3,5,8H2,1-2H3.
What are the key properties of 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 330.28 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 107312365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).