N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide

C11H17N3O2S — CID 113246126

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCOCC2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-9-7-12-10(17-9)8-13-11(15)14-3-5-16-6-4-14/h7H,2-6,8H2,1H3,(H,13,15)
InChIKeyCLVXEBBOUVXNKK-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.25
Rot. Bonds3

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 113246126) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
PubChem CID113246126
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCCc1cnc(CNC(=O)N2CCOCC2)s1
InChIInChI=1S/C11H17N3O2S/c1-2-9-7-12-10(17-9)8-13-11(15)14-3-5-16-6-4-14/h7H,2-6,8H2,1H3,(H,13,15)
InChIKeyCLVXEBBOUVXNKK-UHFFFAOYSA-N
XLogP1.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide (CID 113246126) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide is CCc1cnc(CNC(=O)N2CCOCC2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is CLVXEBBOUVXNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-9-7-12-10(17-9)8-13-11(15)14-3-5-16-6-4-14/h7H,2-6,8H2,1H3,(H,13,15).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 113246126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).