[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone

C11H16N2O2S — CID 111560884

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1ncc(C(=O)N2CC[C@@H](O)C2)s1
InChIInChI=1S/C11H16N2O2S/c1-2-3-10-12-6-9(16-10)11(15)13-5-4-8(14)7-13/h6,8,14H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyBDLPMOGOXQLZOE-MRVPVSSYSA-N
MW240.33 g/mol
LogP1.30
Rot. Bonds3

About [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone (PubChem CID 111560884) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
PubChem CID111560884
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
SMILESCCCc1ncc(C(=O)N2CC[C@@H](O)C2)s1
InChIInChI=1S/C11H16N2O2S/c1-2-3-10-12-6-9(16-10)11(15)13-5-4-8(14)7-13/h6,8,14H,2-5,7H2,1H3/t8-/m1/s1
InChIKeyBDLPMOGOXQLZOE-MRVPVSSYSA-N
XLogP1.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111462920
3-methyl-1-(2-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256229
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 120741707
(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110907783
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 111462834
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
[(3aR,5R,7aS)-5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-[2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methanone
CID 136586610
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
(3S)-4-(2-propyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125119497
(3-hydroxypiperidin-1-yl)-(2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 110928448
(2-ethyl-1,3-thiazol-5-yl)-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 48579290
1-[2-[methyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235721

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone (CID 111560884) is [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone is CCCc1ncc(C(=O)N2CC[C@@H](O)C2)s1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
The InChIKey is BDLPMOGOXQLZOE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-10-12-6-9(16-10)11(15)13-5-4-8(14)7-13/h6,8,14H,2-5,7H2,1H3/t8-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 111560884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).