1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one

C12H19N3OS — CID 115707088

IUPAC1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
SMILESCC(NCCC(=O)N1CCCC1)c1cncs1
InChIInChI=1S/C12H19N3OS/c1-10(11-8-13-9-17-11)14-5-4-12(16)15-6-2-3-7-15/h8-10,14H,2-7H2,1H3
InChIKeyHUPOULZOCPZSAT-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.81
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one

1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one (PubChem CID 115707088) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
PubChem CID115707088
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
SMILESCC(NCCC(=O)N1CCCC1)c1cncs1
InChIInChI=1S/C12H19N3OS/c1-10(11-8-13-9-17-11)14-5-4-12(16)15-6-2-3-7-15/h8-10,14H,2-7H2,1H3
InChIKeyHUPOULZOCPZSAT-UHFFFAOYSA-N
XLogP1.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
N-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 64988779
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351
1-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719652
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43768081
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 102612475
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
3-[1-(furan-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 113223074

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one (CID 115707088) is 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one is CC(NCCC(=O)N1CCCC1)c1cncs1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one?
The InChIKey is HUPOULZOCPZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(11-8-13-9-17-11)14-5-4-12(16)15-6-2-3-7-15/h8-10,14H,2-7H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one?
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one has a molecular weight of 253.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one is sourced from PubChem (CID 115707088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).