(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone

C11H16N2OS — CID 115667248

IUPAC(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCCC1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C11H16N2OS/c1-2-3-9-4-5-13(6-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3
InChIKeyIORLJXHPNWZGIA-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.41
Rot. Bonds3

About (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone

(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 115667248) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID115667248
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCCC1CCN(C(=O)c2cscn2)C1
InChIInChI=1S/C11H16N2OS/c1-2-3-9-4-5-13(6-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3
InChIKeyIORLJXHPNWZGIA-UHFFFAOYSA-N
XLogP2.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119105527
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809
(6-chloro-2-pyridinyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112695912

Frequently Asked Questions

What is the IUPAC name of (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 115667248) is (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone is CCCC1CCN(C(=O)c2cscn2)C1.
What is the InChIKey of (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is IORLJXHPNWZGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-2-3-9-4-5-13(6-9)11(14)10-7-15-8-12-10/h7-9H,2-6H2,1H3.
What are the key properties of (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylpyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 115667248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).