N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine

C12H21N3OS — CID 54883121

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCCc1ncc(CNCCN2CCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-2-12-14-10-11(17-12)9-13-3-4-15-5-7-16-8-6-15/h10,13H,2-9H2,1H3
InChIKeyQLPZLLVOEDLHKV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.13
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 54883121) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID54883121
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCCc1ncc(CNCCN2CCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-2-12-14-10-11(17-12)9-13-3-4-15-5-7-16-8-6-15/h10,13H,2-9H2,1H3
InChIKeyQLPZLLVOEDLHKV-UHFFFAOYSA-N
XLogP1.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 54883757
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115684306
2-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 60982756
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
4-(2-ethyl-1,3-thiazol-5-yl)morpholine
CID 89317794
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 112755271
N'-[(2-ethyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60982775
2-ethylsulfonyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115684331
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
1-(2-ethyl-1,3-thiazol-5-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103741081
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60982755
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine (CID 54883121) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine is CCc1ncc(CNCCN2CCOCC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is QLPZLLVOEDLHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-2-12-14-10-11(17-12)9-13-3-4-15-5-7-16-8-6-15/h10,13H,2-9H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 255.39 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 54883121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).