N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide

C21H19N5O3S — CID 3530439

IUPACN-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCN2C(=O)c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-14(27)15-5-7-17(8-6-15)23-21(29)26-11-3-10-25(26)20(28)18-13-30-19(24-18)16-4-2-9-22-12-16/h2,4-9,12-13H,3,10-11H2,1H3,(H,23,29)
InChIKeyKNLFAZGGUWIYLQ-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.70
Rot. Bonds4

About N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide

N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide (PubChem CID 3530439) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
PubChem CID3530439
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC NameN-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCCN2C(=O)c2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H19N5O3S/c1-14(27)15-5-7-17(8-6-15)23-21(29)26-11-3-10-25(26)20(28)18-13-30-19(24-18)16-4-2-9-22-12-16/h2,4-9,12-13H,3,10-11H2,1H3,(H,23,29)
InChIKeyKNLFAZGGUWIYLQ-UHFFFAOYSA-N
XLogP3.70
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propan-2-yl-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 3793078
1-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]propan-1-one
CID 3806511
N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 3438111
propyl 2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxylate
CID 3570099
3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]butanamide
CID 4989358
1-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]pent-4-yn-1-one
CID 4999828
1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 22888692
3-methyl-N-[2-oxo-2-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidin-1-yl]ethyl]benzamide
CID 4584985
morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157
4-[[3-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbonyl]-2-pyridinyl]sulfanyl]butanenitrile
CID 3366273
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide (CID 3530439) is N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCCN2C(=O)c2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The InChIKey is KNLFAZGGUWIYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-14(27)15-5-7-17(8-6-15)23-21(29)26-11-3-10-25(26)20(28)18-13-30-19(24-18)16-4-2-9-22-12-16/h2,4-9,12-13H,3,10-11H2,1H3,(H,23,29).
What are the key properties of N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 3530439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).