3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine

C10H11N3OS — CID 14715311

IUPAC3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1nsc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C10H11N3OS/c1-7-3-5-8(6-4-7)11-10-12-9(14-2)13-15-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyKKRFVKKWTCIOPC-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.60
Rot. Bonds3

About 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine

3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 14715311) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID14715311
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1nsc(Nc2ccc(C)cc2)n1
InChIInChI=1S/C10H11N3OS/c1-7-3-5-8(6-4-7)11-10-12-9(14-2)13-15-10/h3-6H,1-2H3,(H,11,12,13)
InChIKeyKKRFVKKWTCIOPC-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine (CID 14715311) is 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine is COc1nsc(Nc2ccc(C)cc2)n1.
What is the InChIKey of 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KKRFVKKWTCIOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-7-3-5-8(6-4-7)11-10-12-9(14-2)13-15-10/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine?
3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 221.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 14715311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).