[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine

C13H17N3OS — CID 82360109

IUPAC[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2nnc(CN)s2)cc1C
InChIInChI=1S/C13H17N3OS/c1-4-17-11-6-8(2)10(5-9(11)3)13-16-15-12(7-14)18-13/h5-6H,4,7,14H2,1-3H3
InChIKeyKNHGNGDKFYBGBS-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.68
Rot. Bonds4

About [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 82360109) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID82360109
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2nnc(CN)s2)cc1C
InChIInChI=1S/C13H17N3OS/c1-4-17-11-6-8(2)10(5-9(11)3)13-16-15-12(7-14)18-13/h5-6H,4,7,14H2,1-3H3
InChIKeyKNHGNGDKFYBGBS-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-ethoxy-2,5-dimethylphenyl)-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

2-[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 82360147
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
CID 82478515
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
2-[5-(4-ethoxy-2,5-dimethylphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 96669709
4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
CID 82295331
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120
[5-(2,5-dibromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 107966911
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
5-(2,4-diethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 7141579
1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 82360109) is [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine is CCOc1cc(C)c(-c2nnc(CN)s2)cc1C.
What is the InChIKey of [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is KNHGNGDKFYBGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-4-17-11-6-8(2)10(5-9(11)3)13-16-15-12(7-14)18-13/h5-6H,4,7,14H2,1-3H3.
What are the key properties of [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 82360109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).