N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine

C13H17N3O2S — CID 62193780

IUPACN-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine
SMILESCCNc1snnc1COCc1ccc(OC)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-14-13-12(15-16-19-13)9-18-8-10-4-6-11(17-2)7-5-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyUIQPVVMDHFRCSC-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.70
Rot. Bonds7

About N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine

N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine (PubChem CID 62193780) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine
PubChem CID62193780
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine
SMILESCCNc1snnc1COCc1ccc(OC)cc1
InChIInChI=1S/C13H17N3O2S/c1-3-14-13-12(15-16-19-13)9-18-8-10-4-6-11(17-2)7-5-10/h4-7,14H,3,8-9H2,1-2H3
InChIKeyUIQPVVMDHFRCSC-UHFFFAOYSA-N
XLogP2.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chlorophenyl)methoxymethyl]-N-propylthiadiazol-5-amine
CID 65125240
N-ethyl-4-(oxolan-2-ylmethoxymethyl)thiadiazol-5-amine
CID 62194085
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
CID 82832358
4-(2-butoxyethoxymethyl)-N-propylthiadiazol-5-amine
CID 55045214
4-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylthiadiazol-5-amine
CID 62193786
N-ethyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiadiazol-5-amine
CID 62189051
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160
5-[(4-methoxyphenyl)methoxymethyl]-1,3-thiazol-2-amine
CID 79775250
N-ethyl-5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 857446
4-[[3-(methoxymethyl)phenoxy]methyl]-N-propylthiadiazol-5-amine
CID 63985599
[4-[(2-bromo-4-methoxyphenoxy)methyl]thiadiazol-5-yl]hydrazine
CID 104708258

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine (CID 62193780) is N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine is CCNc1snnc1COCc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine?
The InChIKey is UIQPVVMDHFRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-14-13-12(15-16-19-13)9-18-8-10-4-6-11(17-2)7-5-10/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine?
N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine has a molecular weight of 279.37 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methoxyphenyl)methoxymethyl]thiadiazol-5-amine is sourced from PubChem (CID 62193780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).