N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine

C14H18ClN3O2S — CID 47014060

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccc(OC)c(OC)c1)Cc1nnsc1Cl
InChIInChI=1S/C14H18ClN3O2S/c1-4-18(9-11-14(15)21-17-16-11)8-10-5-6-12(19-2)13(7-10)20-3/h5-7H,4,8-9H2,1-3H3
InChIKeyAYXWLRATGXTKJB-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.23
Rot. Bonds7

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 47014060) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID47014060
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCN(Cc1ccc(OC)c(OC)c1)Cc1nnsc1Cl
InChIInChI=1S/C14H18ClN3O2S/c1-4-18(9-11-14(15)21-17-16-11)8-10-5-6-12(19-2)13(7-10)20-3/h5-7H,4,8-9H2,1-3H3
InChIKeyAYXWLRATGXTKJB-UHFFFAOYSA-N
XLogP3.23
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-propyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 134001017
4-[[(5-chlorothiadiazol-4-yl)methyl-propylamino]methyl]benzonitrile
CID 47039000
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
3-[[(3,4-dimethoxyphenyl)methyl-ethylamino]methyl]benzonitrile
CID 32661982
N-[(3,4-dimethoxyphenyl)methyl]-N-(quinolin-3-ylmethyl)ethanamine
CID 167837344
N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
5-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 133383927
3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54943422
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
N-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 16608746

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine (CID 47014060) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine is CCN(Cc1ccc(OC)c(OC)c1)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is AYXWLRATGXTKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-4-18(9-11-14(15)21-17-16-11)8-10-5-6-12(19-2)13(7-10)20-3/h5-7H,4,8-9H2,1-3H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 327.84 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 47014060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).