4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine

C13H17ClN4S — CID 62183868

IUPAC4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN4S/c1-3-15-13-12(16-17-19-13)9-18(2)8-10-5-4-6-11(14)7-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyCSPKJOYORFLXHR-UHFFFAOYSA-N
MW296.83 g/mol
LogP3.26
Rot. Bonds6

About 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine

4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine (PubChem CID 62183868) has the molecular formula C13H17ClN4S and a molecular weight of 296.83 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
PubChem CID62183868
Molecular FormulaC13H17ClN4S
Molecular Weight296.83 g/mol
Exact Mass296.09
IUPAC Name4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CN(C)Cc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN4S/c1-3-15-13-12(16-17-19-13)9-18(2)8-10-5-4-6-11(14)7-10/h4-7,15H,3,8-9H2,1-2H3
InChIKeyCSPKJOYORFLXHR-UHFFFAOYSA-N
XLogP3.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
5-chloro-6-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylpyridin-2-amine
CID 62890794
4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184109
N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 63836308
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
1-[3-[[(3-chlorophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62431544
1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
CID 47013669
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
2-(3-chlorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105086113
1-N-[(3-chlorophenyl)methyl]-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79812657
N-[(3-chlorophenyl)methyl]-N',N'-diethyl-N-methylethane-1,2-diamine
CID 784062

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine (CID 62183868) is 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CN(C)Cc1cccc(Cl)c1.
What is the InChIKey of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine?
The InChIKey is CSPKJOYORFLXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4S/c1-3-15-13-12(16-17-19-13)9-18(2)8-10-5-4-6-11(14)7-10/h4-7,15H,3,8-9H2,1-2H3.
What are the key properties of 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine?
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine has a molecular weight of 296.83 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 62183868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).