1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol

C14H25N3O2S — CID 111468323

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCCc1nc(CNCC(C)(O)CN2CCOCC2)cs1
InChIInChI=1S/C14H25N3O2S/c1-3-13-16-12(9-20-13)8-15-10-14(2,18)11-17-4-6-19-7-5-17/h9,15,18H,3-8,10-11H2,1-2H3
InChIKeyZMAANCMJFYTIJC-UHFFFAOYSA-N
MW299.44 g/mol
LogP0.88
Rot. Bonds7

About 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol

1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol (PubChem CID 111468323) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
PubChem CID111468323
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
SMILESCCc1nc(CNCC(C)(O)CN2CCOCC2)cs1
InChIInChI=1S/C14H25N3O2S/c1-3-13-16-12(9-20-13)8-15-10-14(2,18)11-17-4-6-19-7-5-17/h9,15,18H,3-8,10-11H2,1-2H3
InChIKeyZMAANCMJFYTIJC-UHFFFAOYSA-N
XLogP0.88
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

2-(4-((Methylamino)methyl)-1,3-thiazol-2-yl)propan-2-ol
CID 59414219
4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
3-({4-[(2-Methyl-1,3-thiazol-4-YL)methyl]piperazin-1-YL}methyl)pyrrolidin-3-OL
CID 70767666
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 72008385
4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
CID 72008387
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol (CID 111468323) is 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol is CCc1nc(CNCC(C)(O)CN2CCOCC2)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ZMAANCMJFYTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-13-16-12(9-20-13)8-15-10-14(2,18)11-17-4-6-19-7-5-17/h9,15,18H,3-8,10-11H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol?
1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol has a molecular weight of 299.44 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 111468323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).