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

C21H21N5O2S — CID 3438111

IUPACN-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCN1C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C21H21N5O2S/c27-20(18-15-29-19(24-18)17-8-4-10-22-14-17)25-12-5-13-26(25)21(28)23-11-9-16-6-2-1-3-7-16/h1-4,6-8,10,14-15H,5,9,11-13H2,(H,23,28)
InChIKeyXVAOJCPTZLLANG-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.22
Rot. Bonds5

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

N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide (PubChem CID 3438111) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
PubChem CID3438111
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCCN1C(=O)c1csc(-c2cccnc2)n1
InChIInChI=1S/C21H21N5O2S/c27-20(18-15-29-19(24-18)17-8-4-10-22-14-17)25-12-5-13-26(25)21(28)23-11-9-16-6-2-1-3-7-16/h1-4,6-8,10,14-15H,5,9,11-13H2,(H,23,28)
InChIKeyXVAOJCPTZLLANG-UHFFFAOYSA-N
XLogP3.22
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(4-acetylphenyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 3530439
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339
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
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]benzamide
CID 4584985
morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
4-[[3-[2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carbonyl]-2-pyridinyl]sulfanyl]butanenitrile
CID 3366273
bis(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 175265157

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide (CID 3438111) is N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide is O=C(NCCc1ccccc1)N1CCCN1C(=O)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
The InChIKey is XVAOJCPTZLLANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-20(18-15-29-19(24-18)17-8-4-10-22-14-17)25-12-5-13-26(25)21(28)23-11-9-16-6-2-1-3-7-16/h1-4,6-8,10,14-15H,5,9,11-13H2,(H,23,28).
What are the key properties of N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide?
N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)pyrazolidine-1-carboxamide is sourced from PubChem (CID 3438111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).