2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole

C23H19N10S+ — CID 91802537

IUPAC2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole
SMILESc1ccc([N+]2(c3nccs3)CN(c3ccccn3)N(c3ncccn3)N2c2cnccn2)cc1
InChIInChI=1S/C23H19N10S/c1-2-7-19(8-3-1)33(23-29-15-16-34-23)18-30(20-9-4-5-10-25-20)31(22-27-11-6-12-28-22)32(33)21-17-24-13-14-26-21/h1-17H,18H2/q+1
InChIKeyFLPKPRZPHNRXKA-UHFFFAOYSA-N
MW467.54 g/mol
LogP3.99
Rot. Bonds5

About 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole

2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole (PubChem CID 91802537) has the molecular formula C23H19N10S+ and a molecular weight of 467.54 g/mol. Its IUPAC name is 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole
PubChem CID91802537
Molecular FormulaC23H19N10S+
Molecular Weight467.54 g/mol
Exact Mass467.15
IUPAC Name2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole
SMILESc1ccc([N+]2(c3nccs3)CN(c3ccccn3)N(c3ncccn3)N2c2cnccn2)cc1
InChIInChI=1S/C23H19N10S/c1-2-7-19(8-3-1)33(23-29-15-16-34-23)18-30(20-9-4-5-10-25-20)31(22-27-11-6-12-28-22)32(33)21-17-24-13-14-26-21/h1-17H,18H2/q+1
InChIKeyFLPKPRZPHNRXKA-UHFFFAOYSA-N
XLogP3.99
TPSA87.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 70982376
4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 73774844
5-(pyridin-2-ylmethyl)-4-N-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118335005
4-methyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
CID 126535094
N-cyclopentyl-N,4-dimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535129
4-methyl-N-phenyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535189
N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-N-phenyl-1,3-thiazol-2-amine
CID 135286350
N-cyclopentyl-N,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 135286434
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 71007274
4-N-(2-methylsulfanylphenyl)-2-piperazin-1-yl-8-N-(1,3-thiazol-2-ylmethyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 70693778
5-Propylsulfanyl-7-pyridin-2-ylsulfanyl-3-(2-thiophen-2-ylethyl)triazolo[4,5-d]pyrimidine
CID 137631867
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334997

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole?
The IUPAC name of 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole (CID 91802537) is 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole is c1ccc([N+]2(c3nccs3)CN(c3ccccn3)N(c3ncccn3)N2c2cnccn2)cc1.
What is the InChIKey of 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole?
The InChIKey is FLPKPRZPHNRXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N10S/c1-2-7-19(8-3-1)33(23-29-15-16-34-23)18-30(20-9-4-5-10-25-20)31(22-27-11-6-12-28-22)32(33)21-17-24-13-14-26-21/h1-17H,18H2/q+1.
What are the key properties of 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole?
2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole has a molecular weight of 467.54 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-2-pyrazin-2-yl-4-pyridin-2-yl-3-pyrimidin-2-yltetrazolidin-1-ium-1-yl)-1,3-thiazole is sourced from PubChem (CID 91802537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).