3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride

C9H10ClN3OS — CID 75485647

IUPAC3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
SMILESCOc1cccc(-c2nsc(N)n2)c1.Cl
InChIInChI=1S/C9H9N3OS.ClH/c1-13-7-4-2-3-6(5-7)8-11-9(10)14-12-8;/h2-5H,1H3,(H2,10,11,12);1H
InChIKeyIIHQBDONHZBBDI-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.22
Rot. Bonds2

About 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride

3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride (PubChem CID 75485647) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
PubChem CID75485647
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride
SMILESCOc1cccc(-c2nsc(N)n2)c1.Cl
InChIInChI=1S/C9H9N3OS.ClH/c1-13-7-4-2-3-6(5-7)8-11-9(10)14-12-8;/h2-5H,1H3,(H2,10,11,12);1H
InChIKeyIIHQBDONHZBBDI-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-3-(3-methoxyphenyl)-1,2,4-thiadiazole
CID 162444221
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
2-(3-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62192962
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-(5-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 46839740
3-(6-methoxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 46839741
4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine
CID 83912621
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride?
The IUPAC name of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride (CID 75485647) is 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride.
What is the SMILES notation for 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride?
The canonical SMILES for 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride is COc1cccc(-c2nsc(N)n2)c1.Cl.
What is the InChIKey of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride?
The InChIKey is IIHQBDONHZBBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS.ClH/c1-13-7-4-2-3-6(5-7)8-11-9(10)14-12-8;/h2-5H,1H3,(H2,10,11,12);1H.
What are the key properties of 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride?
3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride has a molecular weight of 243.72 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-amine;hydrochloride is sourced from PubChem (CID 75485647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).