tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate

C15H25N3O3S — CID 107249570

IUPACtert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate
SMILESCc1ncc(CNCC2COCCN2C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O3S/c1-11-17-9-13(22-11)8-16-7-12-10-20-6-5-18(12)14(19)21-15(2,3)4/h9,12,16H,5-8,10H2,1-4H3
InChIKeyAEXDGJDGLBJSBM-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate

tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate (PubChem CID 107249570) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate
PubChem CID107249570
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Nametert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate
SMILESCc1ncc(CNCC2COCCN2C(=O)OC(C)(C)C)s1
InChIInChI=1S/C15H25N3O3S/c1-11-17-9-13(22-11)8-16-7-12-10-20-6-5-18(12)14(19)21-15(2,3)4/h9,12,16H,5-8,10H2,1-4H3
InChIKeyAEXDGJDGLBJSBM-UHFFFAOYSA-N
XLogP2.18
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[[(2-methylpyrimidin-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249731
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690
tert-butyl 3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249547
tert-butyl 3-[[(5-bromothiophen-3-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107249698
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
tert-butyl 3-[(thian-3-ylamino)methyl]morpholine-4-carboxylate
CID 107249529
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl 3-[2-(2,5-dimethylfuran-3-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104856522
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
tert-butyl 3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propyl]morpholine-4-carboxylate
CID 107648449
tert-butyl (3R)-3-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]morpholine-4-carboxylate
CID 171675241
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate (CID 107249570) is tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate is Cc1ncc(CNCC2COCCN2C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate?
The InChIKey is AEXDGJDGLBJSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-11-17-9-13(22-11)8-16-7-12-10-20-6-5-18(12)14(19)21-15(2,3)4/h9,12,16H,5-8,10H2,1-4H3.
What are the key properties of tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate?
tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate has a molecular weight of 327.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107249570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).