5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

C21H25N5OS — CID 127249704

IUPAC5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cccc(C3CN(CCc4ccccc4)CCO3)n2)s1
InChIInChI=1S/C21H25N5OS/c1-2-20-24-25-21(28-20)23-19-10-6-9-17(22-19)18-15-26(13-14-27-18)12-11-16-7-4-3-5-8-16/h3-10,18H,2,11-15H2,1H3,(H,22,23,25)
InChIKeyDHCINUBVPUIVAR-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.86
Rot. Bonds7

About 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine

5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (PubChem CID 127249704) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
PubChem CID127249704
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(Nc2cccc(C3CN(CCc4ccccc4)CCO3)n2)s1
InChIInChI=1S/C21H25N5OS/c1-2-20-24-25-21(28-20)23-19-10-6-9-17(22-19)18-15-26(13-14-27-18)12-11-16-7-4-3-5-8-16/h3-10,18H,2,11-15H2,1H3,(H,22,23,25)
InChIKeyDHCINUBVPUIVAR-UHFFFAOYSA-N
XLogP3.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine (CID 127249704) is 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(Nc2cccc(C3CN(CCc4ccccc4)CCO3)n2)s1.
What is the InChIKey of 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DHCINUBVPUIVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-2-20-24-25-21(28-20)23-19-10-6-9-17(22-19)18-15-26(13-14-27-18)12-11-16-7-4-3-5-8-16/h3-10,18H,2,11-15H2,1H3,(H,22,23,25).
What are the key properties of 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 395.53 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[6-[4-(2-phenylethyl)morpholin-2-yl]-2-pyridinyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127249704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).