1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one

C14H22N2OS — CID 146124213

IUPAC1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one
SMILESCC(C)(C)C1CCN(C(=O)CCc2cncs2)C1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)11-6-7-16(9-11)13(17)5-4-12-8-15-10-18-12/h8,10-11H,4-7,9H2,1-3H3
InChIKeyQVADEPBOGXEKJF-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.97
Rot. Bonds3

About 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one

1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one (PubChem CID 146124213) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one
PubChem CID146124213
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one
SMILESCC(C)(C)C1CCN(C(=O)CCc2cncs2)C1
InChIInChI=1S/C14H22N2OS/c1-14(2,3)11-6-7-16(9-11)13(17)5-4-12-8-15-10-18-12/h8,10-11H,4-7,9H2,1-3H3
InChIKeyQVADEPBOGXEKJF-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107034817
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
CID 136534273
1-[3-(methoxymethyl)-3-methylpyrrolidin-1-yl]-3-(1,3-thiazol-5-yl)propan-1-one
CID 138036924
1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 136534354
3-(1,3-thiazol-5-yl)propanoic acid
CID 45121677
1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one
CID 134402025
4-(3-tert-butylpyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 113417042
2-methyl-2-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]propanoic acid
CID 83198787
1-(3-tert-butylpyrrolidin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 113417353
5-(3-tert-butylpyrrolidine-1-carbonyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427491
1-(1,3-thiazol-5-yl)hexan-3-one
CID 112641236

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one (CID 146124213) is 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one is CC(C)(C)C1CCN(C(=O)CCc2cncs2)C1.
What is the InChIKey of 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one?
The InChIKey is QVADEPBOGXEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,3)11-6-7-16(9-11)13(17)5-4-12-8-15-10-18-12/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one?
1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylpyrrolidin-1-yl)-3-(1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 146124213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).