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

C12H15N3OS — CID 65268591

IUPAC3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(-c2nsc(NC(C)C)n2)cc1
InChIInChI=1S/C12H15N3OS/c1-8(2)13-12-14-11(15-17-12)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyQYTACPUICPWGAV-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.03
Rot. Bonds4

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

3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268591) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268591
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(-c2nsc(NC(C)C)n2)cc1
InChIInChI=1S/C12H15N3OS/c1-8(2)13-12-14-11(15-17-12)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,13,14,15)
InChIKeyQYTACPUICPWGAV-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268591) is 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is COc1ccc(-c2nsc(NC(C)C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is QYTACPUICPWGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)13-12-14-11(15-17-12)9-4-6-10(16-3)7-5-9/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).