[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine

C12H15N3OS — CID 80621327

IUPAC[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC(C)c1ccccc1Oc1nnc(CN)s1
InChIInChI=1S/C12H15N3OS/c1-8(2)9-5-3-4-6-10(9)16-12-15-14-11(7-13)17-12/h3-6,8H,7,13H2,1-2H3
InChIKeyOAUZTHRSHXEAHW-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.91
Rot. Bonds4

About [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine

[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80621327) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80621327
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCC(C)c1ccccc1Oc1nnc(CN)s1
InChIInChI=1S/C12H15N3OS/c1-8(2)9-5-3-4-6-10(9)16-12-15-14-11(7-13)17-12/h3-6,8H,7,13H2,1-2H3
InChIKeyOAUZTHRSHXEAHW-UHFFFAOYSA-N
XLogP2.91
TPSA61.03 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624683
2-(2-propan-2-ylphenoxy)-1,3-thiazol-5-amine
CID 102769306
N-[[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624349
[2-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 107542464
[6-(2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 16781989
[5-(3-ethoxyphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80620950
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazole
CID 80610479
[2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 16795671
[5-(4-benzylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80619261
[2-propan-2-yl-5-(2-propan-2-ylphenoxy)pyrimidin-4-yl]methanamine
CID 62322377
N-[[5-[2-(trifluoromethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623780
(2R)-1-(2-propan-2-ylphenoxy)propan-2-amine
CID 30814005

Frequently Asked Questions

What is the IUPAC name of [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (CID 80621327) is [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is CC(C)c1ccccc1Oc1nnc(CN)s1.
What is the InChIKey of [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is OAUZTHRSHXEAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)9-5-3-4-6-10(9)16-12-15-14-11(7-13)17-12/h3-6,8H,7,13H2,1-2H3.
What are the key properties of [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80621327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).