1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one

C12H18N2OS — CID 115089794

IUPAC1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
SMILESCCN1CCC(c2ncc(CC(C)=O)s2)C1
InChIInChI=1S/C12H18N2OS/c1-3-14-5-4-10(8-14)12-13-7-11(16-12)6-9(2)15/h7,10H,3-6,8H2,1-2H3
InChIKeyQKFGWRDQTQZUDA-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.08
Rot. Bonds4

About 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one

1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one (PubChem CID 115089794) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
PubChem CID115089794
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
SMILESCCN1CCC(c2ncc(CC(C)=O)s2)C1
InChIInChI=1S/C12H18N2OS/c1-3-14-5-4-10(8-14)12-13-7-11(16-12)6-9(2)15/h7,10H,3-6,8H2,1-2H3
InChIKeyQKFGWRDQTQZUDA-UHFFFAOYSA-N
XLogP2.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrrolidin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 115089764
3-[2-(1-ethylpiperidin-3-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115090461
2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 115089869
2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089977
1-[2-(thiolan-2-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115090502
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
(2-cyclopropyl-1,3-thiazol-5-yl)-(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone
CID 71860212
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115090064
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089779
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115085402

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one (CID 115089794) is 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one is CCN1CCC(c2ncc(CC(C)=O)s2)C1.
What is the InChIKey of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is QKFGWRDQTQZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-14-5-4-10(8-14)12-13-7-11(16-12)6-9(2)15/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one?
1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 238.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 115089794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).