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

C10H11N3OS — CID 131519657

IUPAC3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(OCc2nsc(N)n2)cc1
InChIInChI=1S/C10H11N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-10(11)15-13-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyGJJBPTWAUOWCHJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.01
Rot. Bonds3

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

3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 131519657) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID131519657
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1ccc(OCc2nsc(N)n2)cc1
InChIInChI=1S/C10H11N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-10(11)15-13-9/h2-5H,6H2,1H3,(H2,11,12,13)
InChIKeyGJJBPTWAUOWCHJ-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66064772
3-(propan-2-yloxymethyl)-1,2,4-thiadiazol-5-amine
CID 83874182
[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine
CID 169243482
5-chloro-6-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62887232
[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methanamine;hydrochloride
CID 127501309
2-chloro-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole
CID 80611604
[2-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82475269
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 20982818
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
[4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanethiol
CID 82426004
3-[(4-methylphenoxy)methyl]pyridin-2-amine
CID 62464607

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine (CID 131519657) is 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine is Cc1ccc(OCc2nsc(N)n2)cc1.
What is the InChIKey of 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GJJBPTWAUOWCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-2-4-8(5-3-7)14-6-9-12-10(11)15-13-9/h2-5H,6H2,1H3,(H2,11,12,13).
What are the key properties of 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine?
3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 221.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenoxy)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 131519657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).