(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone

C14H20N2O2S — CID 102561731

IUPAC(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone
SMILESCc1nc(COC2CCN(C(=O)C3CC3C)C2)cs1
InChIInChI=1S/C14H20N2O2S/c1-9-5-13(9)14(17)16-4-3-12(6-16)18-7-11-8-19-10(2)15-11/h8-9,12-13H,3-7H2,1-2H3
InChIKeyFRIWUTXQORLNOM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.23
Rot. Bonds4

About (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone

(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone (PubChem CID 102561731) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone
PubChem CID102561731
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone
SMILESCc1nc(COC2CCN(C(=O)C3CC3C)C2)cs1
InChIInChI=1S/C14H20N2O2S/c1-9-5-13(9)14(17)16-4-3-12(6-16)18-7-11-8-19-10(2)15-11/h8-9,12-13H,3-7H2,1-2H3
InChIKeyFRIWUTXQORLNOM-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxypiperidin-1-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 71931491
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 114680127
N-[3-(1H-indol-3-yl)-1-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 102561735
2-methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
4-[[1-(2-ethyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 126807447
4-methyl-1-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]pentan-1-one
CID 131692866
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 119662335
1-[(3S,4R)-3-[(3-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]piperidin-1-yl]ethanone
CID 97487134
4-[[(3R)-1-(5-bromo-3-nitro-2-pyridinyl)pyrrolidin-3-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 100615430
2-chloro-1-[3-[(4-methyl-1,3-thiazol-2-yl)methoxy]pyrrolidin-1-yl]ethanone
CID 146102197
(3-methylfuran-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140267
2-(2-methyl-1,3-thiazol-4-yl)-1-[3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 128973759

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone (CID 102561731) is (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone is Cc1nc(COC2CCN(C(=O)C3CC3C)C2)cs1.
What is the InChIKey of (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone?
The InChIKey is FRIWUTXQORLNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-5-13(9)14(17)16-4-3-12(6-16)18-7-11-8-19-10(2)15-11/h8-9,12-13H,3-7H2,1-2H3.
What are the key properties of (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone?
(2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone has a molecular weight of 280.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102561731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).