1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one

C11H17N3O2S — CID 23274627

IUPAC1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCc1nc(N)sc1C(=O)CCN1CCOCC1
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-11(12)13-8)9(15)2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H2,12,13)
InChIKeyWZPIFOWQOLXBCI-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.94
Rot. Bonds4

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

1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 23274627) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID23274627
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCc1nc(N)sc1C(=O)CCN1CCOCC1
InChIInChI=1S/C11H17N3O2S/c1-8-10(17-11(12)13-8)9(15)2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H2,12,13)
InChIKeyWZPIFOWQOLXBCI-UHFFFAOYSA-N
XLogP0.94
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one (CID 23274627) is 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one is Cc1nc(N)sc1C(=O)CCN1CCOCC1.
What is the InChIKey of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is WZPIFOWQOLXBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-10(17-11(12)13-8)9(15)2-3-14-4-6-16-7-5-14/h2-7H2,1H3,(H2,12,13).
What are the key properties of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one?
1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 255.34 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 23274627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).