N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide

C12H17N3O3S — CID 857092

IUPACN-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(C(=O)N2CCOCC2)s1
InChIInChI=1S/C12H17N3O3S/c1-3-9(16)14-12-13-8(2)10(19-12)11(17)15-4-6-18-7-5-15/h3-7H2,1-2H3,(H,13,14,16)
InChIKeyPOXNCKHKKKIBHI-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.27
Rot. Bonds3

About N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide

N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 857092) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
PubChem CID857092
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)c(C(=O)N2CCOCC2)s1
InChIInChI=1S/C12H17N3O3S/c1-3-9(16)14-12-13-8(2)10(19-12)11(17)15-4-6-18-7-5-15/h3-7H2,1-2H3,(H,13,14,16)
InChIKeyPOXNCKHKKKIBHI-UHFFFAOYSA-N
XLogP1.27
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide (CID 857092) is N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(C)c(C(=O)N2CCOCC2)s1.
What is the InChIKey of N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is POXNCKHKKKIBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-9(16)14-12-13-8(2)10(19-12)11(17)15-4-6-18-7-5-15/h3-7H2,1-2H3,(H,13,14,16).
What are the key properties of N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide?
N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 283.35 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 857092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).