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

C13H17N3OS — CID 80624683

IUPAC[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCc1ccc(C(C)C)c(Oc2nnc(CN)s2)c1
InChIInChI=1S/C13H17N3OS/c1-8(2)10-5-4-9(3)6-11(10)17-13-16-15-12(7-14)18-13/h4-6,8H,7,14H2,1-3H3
InChIKeyHVLXYLDYBBNWSS-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.22
Rot. Bonds4

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

[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 80624683) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID80624683
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCc1ccc(C(C)C)c(Oc2nnc(CN)s2)c1
InChIInChI=1S/C13H17N3OS/c1-8(2)10-5-4-9(3)6-11(10)17-13-16-15-12(7-14)18-13/h4-6,8H,7,14H2,1-3H3
InChIKeyHVLXYLDYBBNWSS-UHFFFAOYSA-N
XLogP3.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(5-methyl-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

N-[[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624349
[5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80621327
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497
[4,6-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 61176130
[4-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 22688691
4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
6-methyl-2-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 79021239
5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80610433
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carbothioamide
CID 82516151
2-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-4-carbothioamide
CID 107548433
2-(2-tert-butyl-4-methylphenoxy)-5-(chloromethyl)-1,3,4-thiadiazole
CID 80618233

Frequently Asked Questions

What is the IUPAC name of [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine (CID 80624683) is [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is Cc1ccc(C(C)C)c(Oc2nnc(CN)s2)c1.
What is the InChIKey of [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is HVLXYLDYBBNWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8(2)10-5-4-9(3)6-11(10)17-13-16-15-12(7-14)18-13/h4-6,8H,7,14H2,1-3H3.
What are the key properties of [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 263.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 80624683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).