5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

C11H14N4OS — CID 66280964

IUPAC5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCOc1ccc(CCNc2nc(N)ns2)cc1
InChIInChI=1S/C11H14N4OS/c1-16-9-4-2-8(3-5-9)6-7-13-11-14-10(12)15-17-11/h2-5H,6-7H2,1H3,(H3,12,13,14,15)
InChIKeySCGXFNXXCOWPAZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.78
Rot. Bonds5

About 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280964) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280964
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCOc1ccc(CCNc2nc(N)ns2)cc1
InChIInChI=1S/C11H14N4OS/c1-16-9-4-2-8(3-5-9)6-7-13-11-14-10(12)15-17-11/h2-5H,6-7H2,1H3,(H3,12,13,14,15)
InChIKeySCGXFNXXCOWPAZ-UHFFFAOYSA-N
XLogP1.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 83153478
N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65268124
4-(aminomethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 22693568
3-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133352107
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277041
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
5-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66280523
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
N-[2-(4-methoxyphenyl)ethyl]-4-propylaniline
CID 65429365
N-[2-(4-methoxyphenyl)ethyl]thiophen-3-amine
CID 66350177

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine (CID 66280964) is 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is COc1ccc(CCNc2nc(N)ns2)cc1.
What is the InChIKey of 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is SCGXFNXXCOWPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-16-9-4-2-8(3-5-9)6-7-13-11-14-10(12)15-17-11/h2-5H,6-7H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 250.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(4-methoxyphenyl)ethyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).