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

C12H19N3O2S — CID 115633696

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1csc(CNCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-10-9-18-11(14-10)8-13-3-2-12(16)15-4-6-17-7-5-15/h9,13H,2-8H2,1H3
InChIKeyYRKAZIRHIZXQQQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.79
Rot. Bonds5

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

3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 115633696) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID115633696
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
SMILESCc1csc(CNCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H19N3O2S/c1-10-9-18-11(14-10)8-13-3-2-12(16)15-4-6-17-7-5-15/h9,13H,2-8H2,1H3
InChIKeyYRKAZIRHIZXQQQ-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
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

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
Ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51087087
Ethyl 4-[[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51119730
1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
N-(3-ethoxypropyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 56811625
3-[[1-(4-Methyl-1,3-thiazol-2-yl)cyclopentyl]amino]-1-morpholin-4-ylpropan-1-one
CID 71983366
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
3-(4-Methyl-1,3-thiazol-2-yl)morpholine
CID 75355395
2-[(4-Methyl-1,3-thiazol-2-yl)sulfanyl]-1-(morpholin-4-yl)ethanone
CID 3315122
1-[4-[(4-Methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 29697849
N-({2-[1-(2-Ethoxyacetyl)piperidin-3-YL]-13-thiazol-4-YL}methyl)acetamide
CID 53149402
3-(2-{4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}-2-oxoethyl)morpholine
CID 56894005

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one (CID 115633696) is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one is Cc1csc(CNCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is YRKAZIRHIZXQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-9-18-11(14-10)8-13-3-2-12(16)15-4-6-17-7-5-15/h9,13H,2-8H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one?
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 269.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 115633696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).