[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C14H16N2O2S2 — CID 47426042

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCOCc1nc(C(=O)N2CCCC2c2cccs2)cs1
InChIInChI=1S/C14H16N2O2S2/c1-18-8-13-15-10(9-20-13)14(17)16-6-2-4-11(16)12-5-3-7-19-12/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyPQQHHEREDXIIEV-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.33
Rot. Bonds4

About [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 47426042) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID47426042
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESCOCc1nc(C(=O)N2CCCC2c2cccs2)cs1
InChIInChI=1S/C14H16N2O2S2/c1-18-8-13-15-10(9-20-13)14(17)16-6-2-4-11(16)12-5-3-7-19-12/h3,5,7,9,11H,2,4,6,8H2,1H3
InChIKeyPQQHHEREDXIIEV-UHFFFAOYSA-N
XLogP3.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569150
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95972666
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735811
2-amino-3-methoxy-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120984461
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 167849425
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96574884

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 47426042) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is COCc1nc(C(=O)N2CCCC2c2cccs2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is PQQHHEREDXIIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c1-18-8-13-15-10(9-20-13)14(17)16-6-2-4-11(16)12-5-3-7-19-12/h3,5,7,9,11H,2,4,6,8H2,1H3.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 308.43 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 47426042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).