5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine

C11H13N3OS — CID 6486679

IUPAC5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1CCc1nnc(N)s1
InChIInChI=1S/C11H13N3OS/c1-15-9-5-3-2-4-8(9)6-7-10-13-14-11(12)16-10/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyJQSSGPFBXKIZDK-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.91
Rot. Bonds4

About 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine

5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 6486679) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID6486679
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1CCc1nnc(N)s1
InChIInChI=1S/C11H13N3OS/c1-15-9-5-3-2-4-8(9)6-7-10-13-14-11(12)16-10/h2-5H,6-7H2,1H3,(H2,12,14)
InChIKeyJQSSGPFBXKIZDK-UHFFFAOYSA-N
XLogP1.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250689
5-(2,6-dimethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 3407778
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560171
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939
triethyl-[(2-methoxyphenyl)methoxy]silane
CID 101046757
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 92659573
[5-[2-(2-methoxyphenyl)ethyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
CID 35754981
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 6486679) is 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is COc1ccccc1CCc1nnc(N)s1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JQSSGPFBXKIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-9-5-3-2-4-8(9)6-7-10-13-14-11(12)16-10/h2-5H,6-7H2,1H3,(H2,12,14).
What are the key properties of 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6486679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).