(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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Related Compounds

(4R)-3-(3,3-dimethylbutanoyl)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 95153320
N-(3-aminopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119406281
(4S)-3-(cyclopentanecarbonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97221660
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 47165617
(4S)-3-(cyclopentanecarbonyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95279006
1-(adamantane-1-carbonyl)-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 55600339
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
CID 71984965
(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 95330465
3-(cyclopentanecarbonyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119556578
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[2-[[N'-methyl-N-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111904643
(4R)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide
CID 95321789

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).