3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

C13H21N3OS — CID 43768094

IUPAC3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ncsc1C(C)NCCC(=O)N1CCCC1
InChIInChI=1S/C13H21N3OS/c1-10(13-11(2)15-9-18-13)14-6-5-12(17)16-7-3-4-8-16/h9-10,14H,3-8H2,1-2H3
InChIKeyAQHKBGDLYWLRHU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.11
Rot. Bonds5

About 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43768094) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43768094
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ncsc1C(C)NCCC(=O)N1CCCC1
InChIInChI=1S/C13H21N3OS/c1-10(13-11(2)15-9-18-13)14-6-5-12(17)16-7-3-4-8-16/h9-10,14H,3-8H2,1-2H3
InChIKeyAQHKBGDLYWLRHU-UHFFFAOYSA-N
XLogP2.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 43768094) is 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is Cc1ncsc1C(C)NCCC(=O)N1CCCC1.
What is the InChIKey of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is AQHKBGDLYWLRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(13-11(2)15-9-18-13)14-6-5-12(17)16-7-3-4-8-16/h9-10,14H,3-8H2,1-2H3.
What are the key properties of 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 267.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43768094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).