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

C11H13N3OS — CID 6486680

IUPAC5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(CCc2nnc(N)s2)c1
InChIInChI=1S/C11H13N3OS/c1-15-9-4-2-3-8(7-9)5-6-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3,(H2,12,14)
InChIKeyYIYCIORYQRLLNX-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.91
Rot. Bonds4

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

5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 6486680) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID6486680
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(CCc2nnc(N)s2)c1
InChIInChI=1S/C11H13N3OS/c1-15-9-4-2-3-8(7-9)5-6-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3,(H2,12,14)
InChIKeyYIYCIORYQRLLNX-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

5-(4-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882
5-[(4-Methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 800231
5-[2-(3,4-Dimethoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 6486677
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685559
5-(2-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 748318
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide
CID 6461687
methyl [(2Z)-5-(4-methoxybenzyl)-1,3,4-thiadiazol-2(3H)-ylidene]carbamate
CID 666511
5-[(2,3-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685560
5-[(2,5-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685779
5-[(3-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 803234
5-(4-Butoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 659660
5-((3,5-Dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-amine
CID 685558

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 6486680) is 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is COc1cccc(CCc2nnc(N)s2)c1.
What is the InChIKey of 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YIYCIORYQRLLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-9-4-2-3-8(7-9)5-6-10-13-14-11(12)16-10/h2-4,7H,5-6H2,1H3,(H2,12,14).
What are the key properties of 5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(3-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-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6486680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).