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

C15H27N3OS — CID 82103335

IUPAC3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(C)c1csc(CCNCCCN2CCOCC2)n1
InChIInChI=1S/C15H27N3OS/c1-13(2)14-12-20-15(17-14)4-6-16-5-3-7-18-8-10-19-11-9-18/h12-13,16H,3-11H2,1-2H3
InChIKeyDPNXHISJNMPNJF-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.12
Rot. Bonds8

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

3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 82103335) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID82103335
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESCC(C)c1csc(CCNCCCN2CCOCC2)n1
InChIInChI=1S/C15H27N3OS/c1-13(2)14-12-20-15(17-14)4-6-16-5-3-7-18-8-10-19-11-9-18/h12-13,16H,3-11H2,1-2H3
InChIKeyDPNXHISJNMPNJF-UHFFFAOYSA-N
XLogP2.12
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine with MolForge

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Related Compounds

N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
1-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115089637
2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-4-yl]propan-2-ol
CID 82515189
4-methyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 43348242
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
1-methyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-9-oxa-1,4-diazaspiro[5.5]undecane
CID 138810125
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 112755271
1-ethyl-2-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972592
2-methyl-1-(4-morpholin-4-ylbutyl)-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 111689635
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 122166014

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 82103335) is 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine is CC(C)c1csc(CCNCCCN2CCOCC2)n1.
What is the InChIKey of 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is DPNXHISJNMPNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-13(2)14-12-20-15(17-14)4-6-16-5-3-7-18-8-10-19-11-9-18/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine?
3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 297.47 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82103335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).