[4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone

C14H15N3O3S — CID 45491107

IUPAC[4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H15N3O3S/c1-19-11-4-2-10(3-5-11)12-13(21-16-15-12)14(18)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyIIHLTZNUXUHCEJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.69
Rot. Bonds3

About [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone

[4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 45491107) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID45491107
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name[4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2nnsc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H15N3O3S/c1-19-11-4-2-10(3-5-11)12-13(21-16-15-12)14(18)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3
InChIKeyIIHLTZNUXUHCEJ-UHFFFAOYSA-N
XLogP1.69
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone (CID 45491107) is [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone is COc1ccc(-c2nnsc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is IIHLTZNUXUHCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-19-11-4-2-10(3-5-11)12-13(21-16-15-12)14(18)17-6-8-20-9-7-17/h2-5H,6-9H2,1H3.
What are the key properties of [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone?
[4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 305.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)thiadiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45491107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).