N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide

C13H21N3O2S — CID 108746674

IUPACN-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(C)Cc1csc(CN2CCOCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-3-13(17)15(2)8-11-10-19-12(14-11)9-16-4-6-18-7-5-16/h10H,3-9H2,1-2H3
InChIKeyJYEQACGKMHRPSX-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.34
Rot. Bonds5

About N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide

N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 108746674) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID108746674
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(C)Cc1csc(CN2CCOCC2)n1
InChIInChI=1S/C13H21N3O2S/c1-3-13(17)15(2)8-11-10-19-12(14-11)9-16-4-6-18-7-5-16/h10H,3-9H2,1-2H3
InChIKeyJYEQACGKMHRPSX-UHFFFAOYSA-N
XLogP1.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
2-(2,4-dichlorophenoxy)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768954
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108746731
(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
CID 108768919
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108768953
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide (CID 108746674) is N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)N(C)Cc1csc(CN2CCOCC2)n1.
What is the InChIKey of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is JYEQACGKMHRPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-13(17)15(2)8-11-10-19-12(14-11)9-16-4-6-18-7-5-16/h10H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide?
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 283.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 108746674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).