1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one

C10H14N2OS — CID 116583454

IUPAC1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)CC1CCNC1
InChIInChI=1S/C10H14N2OS/c13-9(3-8-1-2-11-5-8)4-10-6-12-7-14-10/h6-8,11H,1-5H2
InChIKeyAITHKZNYRPHLBM-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.25
Rot. Bonds4

About 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one

1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 116583454) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID116583454
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)CC1CCNC1
InChIInChI=1S/C10H14N2OS/c13-9(3-8-1-2-11-5-8)4-10-6-12-7-14-10/h6-8,11H,1-5H2
InChIKeyAITHKZNYRPHLBM-UHFFFAOYSA-N
XLogP1.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
CID 115796129
1-pyrrolidin-3-yl-2-(1,3-thiazol-5-yl)ethanone
CID 116568336
5-(pyrrolidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 71645788
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
5-(pyrrolidin-3-ylsulfanylmethyl)-1,3-thiazole
CID 71637100
5-(piperidin-3-ylmethyl)-1,3-thiazole
CID 112644485
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
CID 116555141
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
1-(4-bromothiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564275
5-(azetidin-3-ylmethylsulfonylmethyl)-1,3-thiazole
CID 112645687
5-[[(3S)-pyrrolidin-3-yl]oxymethyl]-1,3-thiazole
CID 71636911
1,3-thiazol-5-ylmethyl N-(2-piperidin-4-ylethyl)carbamate
CID 67394506

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one (CID 116583454) is 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1cncs1)CC1CCNC1.
What is the InChIKey of 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is AITHKZNYRPHLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c13-9(3-8-1-2-11-5-8)4-10-6-12-7-14-10/h6-8,11H,1-5H2.
What are the key properties of 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one?
1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 210.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-yl-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 116583454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).