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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Related Compounds

N-(5-morpholin-4-yl-1,3-thiazol-2-yl)formamide
CID 15398953
N-(5-morpholin-4-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 174969195
4-(2-ethyl-1,3-thiazol-5-yl)morpholine
CID 89317794
2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
CID 56847533
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 162395574
5-(1,4-oxazepan-4-ylmethyl)-N-propyl-1,3-thiazol-2-amine
CID 79771866
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpentanamide
CID 75373598
ethyl 2-[2-[[2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazol-5-yl]acetate
CID 167901227
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
ethane;5-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 143962241
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896

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).