3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one

C12H19N3O2S — CID 112698599

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(NCCC(=O)N2CCOCC2)sc1C
InChIInChI=1S/C12H19N3O2S/c1-9-10(2)18-12(14-9)13-4-3-11(16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14)
InChIKeyBXFDVBKSFZHWGL-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.42
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 112698599) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID112698599
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(NCCC(=O)N2CCOCC2)sc1C
InChIInChI=1S/C12H19N3O2S/c1-9-10(2)18-12(14-9)13-4-3-11(16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14)
InChIKeyBXFDVBKSFZHWGL-UHFFFAOYSA-N
XLogP1.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113254660
N-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47199232
methyl 4-chloro-2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-thiazole-5-carboxylate
CID 115590658
1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
CID 133370153
5-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pentanamide
CID 106238769
3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 154735878
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115633696
4-methyl-2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-5-carboxylic acid
CID 80570559
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanol
CID 65169269
3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 102837365
2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
CID 113411549
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 113259255

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 112698599) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one is Cc1nc(NCCC(=O)N2CCOCC2)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BXFDVBKSFZHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-10(2)18-12(14-9)13-4-3-11(16)15-5-7-17-8-6-15/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 269.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112698599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).