N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine

C13H23N3OS — CID 62463271

IUPACN-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCOCC2(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-4-14-7-12-15-11(9-18-12)8-16-5-6-17-10-13(16,2)3/h9,14H,4-8,10H2,1-3H3
InChIKeyQWTJKWDMEHLMEY-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.86
Rot. Bonds5

About N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62463271) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62463271
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN2CCOCC2(C)C)cs1
InChIInChI=1S/C13H23N3OS/c1-4-14-7-12-15-11(9-18-12)8-16-5-6-17-10-13(16,2)3/h9,14H,4-8,10H2,1-3H3
InChIKeyQWTJKWDMEHLMEY-UHFFFAOYSA-N
XLogP1.86
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 62463277
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
N-[[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 102745994
N-[[4-(azocan-1-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62417685
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
N-[[6-[(3,3-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 106906337
N-[[4-(1,4-thiazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413635
N-[[4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62411427
N-[[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 107395568
N-[[3-bromo-4-[(3,3-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 102770550
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 113377733
6-[(3,3-dimethylmorpholin-4-yl)methyl]-N-propylpyridin-2-amine
CID 79242954

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 62463271) is N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN2CCOCC2(C)C)cs1.
What is the InChIKey of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is QWTJKWDMEHLMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-14-7-12-15-11(9-18-12)8-16-5-6-17-10-13(16,2)3/h9,14H,4-8,10H2,1-3H3.
What are the key properties of N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62463271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).