3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine

C13H23N3OS — CID 79824283

IUPAC3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(C)(C(N)Cc1nccs1)N1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-3-13(2,16-5-7-17-8-6-16)11(14)10-12-15-4-9-18-12/h4,9,11H,3,5-8,10,14H2,1-2H3
InChIKeyBPVYXQUYNORARG-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.51
Rot. Bonds5

About 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine

3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 79824283) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID79824283
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(C)(C(N)Cc1nccs1)N1CCOCC1
InChIInChI=1S/C13H23N3OS/c1-3-13(2,16-5-7-17-8-6-16)11(14)10-12-15-4-9-18-12/h4,9,11H,3,5-8,10,14H2,1-2H3
InChIKeyBPVYXQUYNORARG-UHFFFAOYSA-N
XLogP1.51
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 79824283) is 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine is CCC(C)(C(N)Cc1nccs1)N1CCOCC1.
What is the InChIKey of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is BPVYXQUYNORARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-3-13(2,16-5-7-17-8-6-16)11(14)10-12-15-4-9-18-12/h4,9,11H,3,5-8,10,14H2,1-2H3.
What are the key properties of 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine?
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 79824283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).