1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

C15H26N2O2S — CID 42748066

IUPAC1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(CC(C)C)SCC1C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O2S/c1-4-13(18)17-12(10-20-14(17)9-11(2)3)15(19)16-7-5-6-8-16/h11-12,14H,4-10H2,1-3H3
InChIKeyVQDPBWCNKPXLDM-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.34
Rot. Bonds4

About 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 42748066) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID42748066
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(CC(C)C)SCC1C(=O)N1CCCC1
InChIInChI=1S/C15H26N2O2S/c1-4-13(18)17-12(10-20-14(17)9-11(2)3)15(19)16-7-5-6-8-16/h11-12,14H,4-10H2,1-3H3
InChIKeyVQDPBWCNKPXLDM-UHFFFAOYSA-N
XLogP2.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-2-(2-methylpropyl)-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 7438953
[4-(4-benzylpiperazine-1-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidin-3-yl]-cyclopropylmethanone
CID 42748148
3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylic acid
CID 42744251
3-(cyclopropanecarbonyl)-N-(4-methylphenyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4573401
3-acetyl-N-cyclohexyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4984599
methyl (4R)-3-methyl-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxylate
CID 15052278
N-cyclopropyl-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748095
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
1-(azepan-1-yl)propan-1-one
CID 3613534
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
formic acid;1-pyrrolidin-1-ylpropan-1-one
CID 142278991
N-butyl-3-(3-methylbut-2-enoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745347

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 42748066) is 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1C(CC(C)C)SCC1C(=O)N1CCCC1.
What is the InChIKey of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is VQDPBWCNKPXLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-13(18)17-12(10-20-14(17)9-11(2)3)15(19)16-7-5-6-8-16/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 298.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 42748066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).