[2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

C16H27N3O2S — CID 56872822

IUPAC[2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)CCCC1CN(C(=O)c2snnc2C(C)C)CCO1
InChIInChI=1S/C16H27N3O2S/c1-11(2)6-5-7-13-10-19(8-9-21-13)16(20)15-14(12(3)4)17-18-22-15/h11-13H,5-10H2,1-4H3
InChIKeyGQMDKWIMWCYRDT-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.33
Rot. Bonds6

About [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

[2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 56872822) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID56872822
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name[2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)CCCC1CN(C(=O)c2snnc2C(C)C)CCO1
InChIInChI=1S/C16H27N3O2S/c1-11(2)6-5-7-13-10-19(8-9-21-13)16(20)15-14(12(3)4)17-18-22-15/h11-13H,5-10H2,1-4H3
InChIKeyGQMDKWIMWCYRDT-UHFFFAOYSA-N
XLogP3.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 56872822) is [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)CCCC1CN(C(=O)c2snnc2C(C)C)CCO1.
What is the InChIKey of [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is GQMDKWIMWCYRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-11(2)6-5-7-13-10-19(8-9-21-13)16(20)15-14(12(3)4)17-18-22-15/h11-13H,5-10H2,1-4H3.
What are the key properties of [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
[2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 325.48 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpentyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 56872822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).