[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone

C14H20N2O2S — CID 174945292

IUPAC[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1csc(CC2(O)CCC2)n1
InChIInChI=1S/C14H20N2O2S/c1-10-4-2-7-16(10)13(17)11-9-19-12(15-11)8-14(18)5-3-6-14/h9-10,18H,2-8H2,1H3
InChIKeyFPVQXXFDZOQBFH-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.23
Rot. Bonds3

About [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone

[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 174945292) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID174945292
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1csc(CC2(O)CCC2)n1
InChIInChI=1S/C14H20N2O2S/c1-10-4-2-7-16(10)13(17)11-9-19-12(15-11)8-14(18)5-3-6-14/h9-10,18H,2-8H2,1H3
InChIKeyFPVQXXFDZOQBFH-UHFFFAOYSA-N
XLogP2.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 141489183
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
iodo 4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxylate
CID 163733946
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
[2-(1-aminobutyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 3713443
[2-[1-[(2-hydroxy-2-methylpropyl)amino]ethenyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 163929670
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
carbon dioxide;N-(2,2-dimethylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 159765137
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
(2R)-1-[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371872
(2S)-1-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365625

Frequently Asked Questions

What is the IUPAC name of [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 174945292) is [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1csc(CC2(O)CCC2)n1.
What is the InChIKey of [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is FPVQXXFDZOQBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-4-2-7-16(10)13(17)11-9-19-12(15-11)8-14(18)5-3-6-14/h9-10,18H,2-8H2,1H3.
What are the key properties of [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
[2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 280.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-hydroxycyclobutyl)methyl]-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 174945292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).