5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine

C10H11N3O2S — CID 1089185

IUPAC5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OCc2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3O2S/c1-14-7-2-4-8(5-3-7)15-6-9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyBVYNFLPAMUDFSH-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.71
Rot. Bonds4

About 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine

5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 1089185) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID1089185
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(OCc2nnc(N)s2)cc1
InChIInChI=1S/C10H11N3O2S/c1-14-7-2-4-8(5-3-7)15-6-9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyBVYNFLPAMUDFSH-UHFFFAOYSA-N
XLogP1.71
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(Phenoxymethyl)-1,3,4-thiadiazol-2-amine
CID 575084
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 685559
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-((3,5-Dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-amine
CID 685558
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 1392231
5-[(4-methoxyphenoxy)methyl]-2H-tetrazole
CID 5307056
5-(1-Phenoxyethyl)-1,3,4-thiadiazol-2-amine
CID 3135847
5-[(4-Methylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 747905
2-Methoxy-N-(5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652594
5-[(2-Ethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 936578
5-[1-(4-Methoxy-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CID 3155971

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine (CID 1089185) is 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine is COc1ccc(OCc2nnc(N)s2)cc1.
What is the InChIKey of 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BVYNFLPAMUDFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-14-7-2-4-8(5-3-7)15-6-9-12-13-10(11)16-9/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 237.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 1089185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).