1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one

C15H23N3O2S — CID 71866169

IUPAC1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one
SMILESO=C(CCNC1(c2nccs2)CCCC1)N1CCOCC1
InChIInChI=1S/C15H23N3O2S/c19-13(18-8-10-20-11-9-18)3-6-17-15(4-1-2-5-15)14-16-7-12-21-14/h7,12,17H,1-6,8-11H2
InChIKeyNTJNNOMAJXSOEN-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.75
Rot. Bonds5

About 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one

1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one (PubChem CID 71866169) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one
PubChem CID71866169
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one
SMILESO=C(CCNC1(c2nccs2)CCCC1)N1CCOCC1
InChIInChI=1S/C15H23N3O2S/c19-13(18-8-10-20-11-9-18)3-6-17-15(4-1-2-5-15)14-16-7-12-21-14/h7,12,17H,1-6,8-11H2
InChIKeyNTJNNOMAJXSOEN-UHFFFAOYSA-N
XLogP1.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one (CID 71866169) is 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one is O=C(CCNC1(c2nccs2)CCCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one?
The InChIKey is NTJNNOMAJXSOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c19-13(18-8-10-20-11-9-18)3-6-17-15(4-1-2-5-15)14-16-7-12-21-14/h7,12,17H,1-6,8-11H2.
What are the key properties of 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one?
1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one has a molecular weight of 309.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one is sourced from PubChem (CID 71866169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).