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

C13H23N3OS — CID 54883227

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCc1ncc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-2-13-15-11-12(18-13)10-14-4-3-5-16-6-8-17-9-7-16/h11,14H,2-10H2,1H3
InChIKeyIXBYIRHAXPYMHW-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.52
Rot. Bonds7

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

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 54883227) 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]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID54883227
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCCc1ncc(CNCCCN2CCOCC2)s1
InChIInChI=1S/C13H23N3OS/c1-2-13-15-11-12(18-13)10-14-4-3-5-16-6-8-17-9-7-16/h11,14H,2-10H2,1H3
InChIKeyIXBYIRHAXPYMHW-UHFFFAOYSA-N
XLogP1.52
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 52319808
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CID 53553124
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CID 53584330
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CID 53626923
CID 53626923
CID 72043646
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CID 121516403
CID 121516403
CID 138032714
CID 138032714
CID 143305266
CID 143305266
CID 2764390
CID 2764390
CID 55260490
CID 55260490
CID 61686940
CID 61686940

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 54883227) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine is CCc1ncc(CNCCCN2CCOCC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is IXBYIRHAXPYMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-2-13-15-11-12(18-13)10-14-4-3-5-16-6-8-17-9-7-16/h11,14H,2-10H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 1.52, 7 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]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54883227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).