N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine

C13H23N3OS — CID 54883426

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCCc1ncc(CNC(C)CN2CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-3-13-15-9-12(18-13)8-14-11(2)10-16-4-6-17-7-5-16/h9,11,14H,3-8,10H2,1-2H3
InChIKeySUTAQEYHDPOFSC-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.52
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 54883426) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID54883426
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCCc1ncc(CNC(C)CN2CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-3-13-15-9-12(18-13)8-14-11(2)10-16-4-6-17-7-5-16/h9,11,14H,3-8,10H2,1-2H3
InChIKeySUTAQEYHDPOFSC-UHFFFAOYSA-N
XLogP1.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine (CID 54883426) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine is CCc1ncc(CNC(C)CN2CCOCC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is SUTAQEYHDPOFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-13-15-9-12(18-13)8-14-11(2)10-16-4-6-17-7-5-16/h9,11,14H,3-8,10H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 54883426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).