[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

C14H19N5O2S — CID 110105479

IUPAC[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOCC1c1ncc(C)[nH]1
InChIInChI=1S/C14H19N5O2S/c1-3-4-10-12(22-18-17-10)14(20)19-5-6-21-8-11(19)13-15-7-9(2)16-13/h7,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyQAWVOSGNTPTLJX-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.74
Rot. Bonds4

About [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone

[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (PubChem CID 110105479) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
PubChem CID110105479
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone
SMILESCCCc1nnsc1C(=O)N1CCOCC1c1ncc(C)[nH]1
InChIInChI=1S/C14H19N5O2S/c1-3-4-10-12(22-18-17-10)14(20)19-5-6-21-8-11(19)13-15-7-9(2)16-13/h7,11H,3-6,8H2,1-2H3,(H,15,16)
InChIKeyQAWVOSGNTPTLJX-UHFFFAOYSA-N
XLogP1.74
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone 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 [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone (CID 110105479) is [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is CCCc1nnsc1C(=O)N1CCOCC1c1ncc(C)[nH]1.
What is the InChIKey of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
The InChIKey is QAWVOSGNTPTLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-3-4-10-12(22-18-17-10)14(20)19-5-6-21-8-11(19)13-15-7-9(2)16-13/h7,11H,3-6,8H2,1-2H3,(H,15,16).
What are the key properties of [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone?
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone has a molecular weight of 321.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-propylthiadiazol-5-yl)methanone is sourced from PubChem (CID 110105479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).