(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide

C16H26N4O2S — CID 95153320

IUPAC(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCCCn1cccn1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)10-14(21)20-12-23-11-13(20)15(22)17-6-4-8-19-9-5-7-18-19/h5,7,9,13H,4,6,8,10-12H2,1-3H3,(H,17,22)/t13-/m0/s1
InChIKeyJQTIDBQWYMQNRP-ZDUSSCGKSA-N
MW338.48 g/mol
LogP1.73
Rot. Bonds6

About (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95153320) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95153320
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCCCn1cccn1
InChIInChI=1S/C16H26N4O2S/c1-16(2,3)10-14(21)20-12-23-11-13(20)15(22)17-6-4-8-19-9-5-7-18-19/h5,7,9,13H,4,6,8,10-12H2,1-3H3,(H,17,22)/t13-/m0/s1
InChIKeyJQTIDBQWYMQNRP-ZDUSSCGKSA-N
XLogP1.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide (CID 95153320) is (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCCCn1cccn1.
What is the InChIKey of (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JQTIDBQWYMQNRP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-16(2,3)10-14(21)20-12-23-11-13(20)15(22)17-6-4-8-19-9-5-7-18-19/h5,7,9,13H,4,6,8,10-12H2,1-3H3,(H,17,22)/t13-/m0/s1.
What are the key properties of (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95153320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).