N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C14H19N3OS — CID 80624122

IUPACN-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cccc(Oc2nnc(CNC(C)C)s2)c1C
InChIInChI=1S/C14H19N3OS/c1-9(2)15-8-13-16-17-14(19-13)18-12-7-5-6-10(3)11(12)4/h5-7,9,15H,8H2,1-4H3
InChIKeyAJYGBPFHSFYLFZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.45
Rot. Bonds5

About N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 80624122) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID80624122
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCc1cccc(Oc2nnc(CNC(C)C)s2)c1C
InChIInChI=1S/C14H19N3OS/c1-9(2)15-8-13-16-17-14(19-13)18-12-7-5-6-10(3)11(12)4/h5-7,9,15H,8H2,1-4H3
InChIKeyAJYGBPFHSFYLFZ-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine 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-[2-(trifluoromethyl)phenoxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623780
N-[[5-(5-chloro-2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620865
N-[[5-(5-methyl-2-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624349
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623316
N-[[5-(3-bromophenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80620198
N-[[6-(2,3-dimethylphenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62296582
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
N-[[5-(4-propan-2-ylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80623753
N-[[5-[(6-methyl-3-pyridinyl)oxy]-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80624545
N-[[5-(2-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80620017
N-[[6-(2,3-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80637091
1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80623405

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 80624122) is N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is Cc1cccc(Oc2nnc(CNC(C)C)s2)c1C.
What is the InChIKey of N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is AJYGBPFHSFYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)15-8-13-16-17-14(19-13)18-12-7-5-6-10(3)11(12)4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 277.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80624122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).