3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine

C10H11N3OS — CID 65268854

IUPAC3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2cccc(OC)c2)ns1
InChIInChI=1S/C10H11N3OS/c1-11-10-12-9(13-15-10)7-4-3-5-8(6-7)14-2/h3-6H,1-2H3,(H,11,12,13)
InChIKeyCZJIPJCHUNTLRB-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.26
Rot. Bonds3

About 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine

3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268854) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268854
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(-c2cccc(OC)c2)ns1
InChIInChI=1S/C10H11N3OS/c1-11-10-12-9(13-15-10)7-4-3-5-8(6-7)14-2/h3-6H,1-2H3,(H,11,12,13)
InChIKeyCZJIPJCHUNTLRB-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
CID 75485647
5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
CID 162444221
2-(3-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 83886658
2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 62191311
N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 103400001
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126775905
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]urea
CID 126766209
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133318374
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 65268854) is 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine is CNc1nc(-c2cccc(OC)c2)ns1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CZJIPJCHUNTLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-11-10-12-9(13-15-10)7-4-3-5-8(6-7)14-2/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 221.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).