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

C16H24N4O2S — CID 95156095

IUPAC(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCn1cccn1)[C@@H]1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C16H24N4O2S/c21-15(17-7-3-9-19-10-4-8-18-19)14-11-23-12-20(14)16(22)13-5-1-2-6-13/h4,8,10,13-14H,1-3,5-7,9,11-12H2,(H,17,21)/t14-/m0/s1
InChIKeyBUPFHVODRANCKO-AWEZNQCLSA-N
MW336.46 g/mol
LogP1.48
Rot. Bonds6

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

(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95156095) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95156095
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCn1cccn1)[C@@H]1CSCN1C(=O)C1CCCC1
InChIInChI=1S/C16H24N4O2S/c21-15(17-7-3-9-19-10-4-8-18-19)14-11-23-12-20(14)16(22)13-5-1-2-6-13/h4,8,10,13-14H,1-3,5-7,9,11-12H2,(H,17,21)/t14-/m0/s1
InChIKeyBUPFHVODRANCKO-AWEZNQCLSA-N
XLogP1.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.48
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-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide (CID 95156095) is (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide is O=C(NCCCn1cccn1)[C@@H]1CSCN1C(=O)C1CCCC1.
What is the InChIKey of (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BUPFHVODRANCKO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2S/c21-15(17-7-3-9-19-10-4-8-18-19)14-11-23-12-20(14)16(22)13-5-1-2-6-13/h4,8,10,13-14H,1-3,5-7,9,11-12H2,(H,17,21)/t14-/m0/s1.
What are the key properties of (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(cyclopentanecarbonyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95156095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).