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

C10H14N2O3S — CID 103533846

IUPAC(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCOC1CN(C(=O)c2cscn2)CC1OC
InChIInChI=1S/C10H14N2O3S/c1-14-8-3-12(4-9(8)15-2)10(13)7-5-16-6-11-7/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPEKLNLUAQLYADL-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.63
Rot. Bonds3

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

(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 103533846) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID103533846
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESCOC1CN(C(=O)c2cscn2)CC1OC
InChIInChI=1S/C10H14N2O3S/c1-14-8-3-12(4-9(8)15-2)10(13)7-5-16-6-11-7/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPEKLNLUAQLYADL-UHFFFAOYSA-N
XLogP0.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124619868
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
(3-ethyl-4-hydroxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130914065
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
methyl 1-(1,3-thiazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 78925984
[(3aR,6aS)-2-(2-methylpropyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97402070
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 73439865
azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[4-(dimethylamino)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63037207
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 76982257
[3-(pyrimidin-2-ylamino)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 121020982

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 103533846) is (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone is COC1CN(C(=O)c2cscn2)CC1OC.
What is the InChIKey of (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is PEKLNLUAQLYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-14-8-3-12(4-9(8)15-2)10(13)7-5-16-6-11-7/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 242.30 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxypyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 103533846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).