N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide

C12H17N3O3S — CID 174969194

IUPACN-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide
SMILESCCCC(=O)C(=O)Nc1ncc(N2CCOCC2)s1
InChIInChI=1S/C12H17N3O3S/c1-2-3-9(16)11(17)14-12-13-8-10(19-12)15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H,13,14,17)
InChIKeyXBTJLABVZYDDEI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.29
Rot. Bonds5

About N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide

N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide (PubChem CID 174969194) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide.

Molecular Properties

Compound NameN-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide
PubChem CID174969194
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide
SMILESCCCC(=O)C(=O)Nc1ncc(N2CCOCC2)s1
InChIInChI=1S/C12H17N3O3S/c1-2-3-9(16)11(17)14-12-13-8-10(19-12)15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H,13,14,17)
InChIKeyXBTJLABVZYDDEI-UHFFFAOYSA-N
XLogP1.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide?
The IUPAC name of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide (CID 174969194) is N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide.
What is the SMILES notation for N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide?
The canonical SMILES for N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide is CCCC(=O)C(=O)Nc1ncc(N2CCOCC2)s1.
What is the InChIKey of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide?
The InChIKey is XBTJLABVZYDDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-3-9(16)11(17)14-12-13-8-10(19-12)15-4-6-18-7-5-15/h8H,2-7H2,1H3,(H,13,14,17).
What are the key properties of N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide?
N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide has a molecular weight of 283.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-oxopentanamide is sourced from PubChem (CID 174969194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).