[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C14H18N4O2S — CID 95569150

IUPAC[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cs1
InChIInChI=1S/C14H18N4O2S/c1-17-7-10(6-15-17)12-4-3-5-18(12)14(19)11-9-21-13(16-11)8-20-2/h6-7,9,12H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKeyDKPUOWMGWRZEQR-LBPRGKRZSA-N
MW306.39 g/mol
LogP2.00
Rot. Bonds4

About [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95569150) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95569150
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cs1
InChIInChI=1S/C14H18N4O2S/c1-17-7-10(6-15-17)12-4-3-5-18(12)14(19)11-9-21-13(16-11)8-20-2/h6-7,9,12H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKeyDKPUOWMGWRZEQR-LBPRGKRZSA-N
XLogP2.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95972666
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735811
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95779814
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 95569194
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl] 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
CID 48702109

Frequently Asked Questions

What is the IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95569150) is [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is COCc1nc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cs1.
What is the InChIKey of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DKPUOWMGWRZEQR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-17-7-10(6-15-17)12-4-3-5-18(12)14(19)11-9-21-13(16-11)8-20-2/h6-7,9,12H,3-5,8H2,1-2H3/t12-/m0/s1.
What are the key properties of [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 306.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95569150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).