5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine

C9H8ClN3OS — CID 117214480

IUPAC5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine
SMILESNc1nnsc1COc1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)12-13-15-8/h1-4H,5,11H2
InChIKeyQBPDMWPRGYFJIV-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.35
Rot. Bonds3

About 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine

5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine (PubChem CID 117214480) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine
PubChem CID117214480
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine
SMILESNc1nnsc1COc1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)12-13-15-8/h1-4H,5,11H2
InChIKeyQBPDMWPRGYFJIV-UHFFFAOYSA-N
XLogP2.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-chlorophenoxy)methyl]-1,2-thiazol-3-amine
CID 117217070
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
[2-[(3-chlorophenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82134233
5-chloro-3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117257005
3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
4-chloro-2-[(3-ethoxyphenoxy)methyl]aniline
CID 79583150
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(bromomethoxy)-3-chlorobenzene
CID 22961199

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine (CID 117214480) is 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine is Nc1nnsc1COc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine?
The InChIKey is QBPDMWPRGYFJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-6-2-1-3-7(4-6)14-5-8-9(11)12-13-15-8/h1-4H,5,11H2.
What are the key properties of 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine?
5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine has a molecular weight of 241.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]thiadiazol-4-amine is sourced from PubChem (CID 117214480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).