N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide

C12H19N3O2S — CID 146138433

IUPACN-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(CCc2ccns2)CCO1
InChIInChI=1S/C12H19N3O2S/c1-10(16)13-8-11-9-15(6-7-17-11)5-3-12-2-4-14-18-12/h2,4,11H,3,5-9H2,1H3,(H,13,16)
InChIKeyFHXPZTCPWRWWPS-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.52
Rot. Bonds5

About N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide

N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide (PubChem CID 146138433) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide
PubChem CID146138433
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(CCc2ccns2)CCO1
InChIInChI=1S/C12H19N3O2S/c1-10(16)13-8-11-9-15(6-7-17-11)5-3-12-2-4-14-18-12/h2,4,11H,3,5-9H2,1H3,(H,13,16)
InChIKeyFHXPZTCPWRWWPS-UHFFFAOYSA-N
XLogP0.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide (CID 146138433) is N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide is CC(=O)NCC1CN(CCc2ccns2)CCO1.
What is the InChIKey of N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide?
The InChIKey is FHXPZTCPWRWWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10(16)13-8-11-9-15(6-7-17-11)5-3-12-2-4-14-18-12/h2,4,11H,3,5-9H2,1H3,(H,13,16).
What are the key properties of N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide?
N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide has a molecular weight of 269.37 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1,2-thiazol-5-yl)ethyl]morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 146138433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).