1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one

C12H19N3OS — CID 64988779

IUPAC1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
SMILESCC(NCCC(=O)N1CCCC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-10(12-14-6-9-17-12)13-5-4-11(16)15-7-2-3-8-15/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyRRRHMQCRZMNFIN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.81
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one

1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one (PubChem CID 64988779) 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-2-yl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
PubChem CID64988779
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
SMILESCC(NCCC(=O)N1CCCC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-10(12-14-6-9-17-12)13-5-4-11(16)15-7-2-3-8-15/h6,9-10,13H,2-5,7-8H2,1H3
InChIKeyRRRHMQCRZMNFIN-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-2-yl)ethylamino]propan-1-one
CID 112550351
3-[1-(3-methylpyrazin-2-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 102612475
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79845095
3-[1-(3,4-dimethylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115710053
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 64993645
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174
3-(dithiophen-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43768081
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one (CID 64988779) is 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one is CC(NCCC(=O)N1CCCC1)c1nccs1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
The InChIKey is RRRHMQCRZMNFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10(12-14-6-9-17-12)13-5-4-11(16)15-7-2-3-8-15/h6,9-10,13H,2-5,7-8H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one?
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-2-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-2-yl)ethylamino]propan-1-one is sourced from PubChem (CID 64988779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).