1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one

C11H16N2OS — CID 115088645

IUPAC1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(CC2CCCN2)n1
InChIInChI=1S/C11H16N2OS/c1-8(14)5-10-7-15-11(13-10)6-9-3-2-4-12-9/h7,9,12H,2-6H2,1H3
InChIKeyMTVIWFCBKLSXPF-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.57
Rot. Bonds4

About 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one

1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one (PubChem CID 115088645) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
PubChem CID115088645
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
SMILESCC(=O)Cc1csc(CC2CCCN2)n1
InChIInChI=1S/C11H16N2OS/c1-8(14)5-10-7-15-11(13-10)6-9-3-2-4-12-9/h7,9,12H,2-6H2,1H3
InChIKeyMTVIWFCBKLSXPF-UHFFFAOYSA-N
XLogP1.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 115088763
1-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115088642
4-(piperidin-2-ylmethyl)-2-propyl-1,3-thiazole
CID 116888787
1-[2-(thiolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-one
CID 115087946
4-bromo-2-(piperidin-2-ylmethyl)-1,3-thiazole
CID 83693596
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119869571
4-(2-methylpropyl)-2-(2-piperidin-2-ylethyl)-1,3-thiazole
CID 116968484
1-[3-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080506
4-(5-bromothiophen-2-yl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 55084863
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119510569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
The IUPAC name of 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one (CID 115088645) is 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one.
What is the SMILES notation for 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
The canonical SMILES for 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one is CC(=O)Cc1csc(CC2CCCN2)n1.
What is the InChIKey of 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
The InChIKey is MTVIWFCBKLSXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(14)5-10-7-15-11(13-10)6-9-3-2-4-12-9/h7,9,12H,2-6H2,1H3.
What are the key properties of 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one?
1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one has a molecular weight of 224.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidin-2-ylmethyl)-1,3-thiazol-4-yl]propan-2-one is sourced from PubChem (CID 115088645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).