(1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone

C25H21N7OS — CID 112814595

IUPAC(1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C25H21N7OS/c33-25(31-14-12-30(13-15-31)23-20-11-16-34-24(20)27-17-26-23)21-28-22(18-7-3-1-4-8-18)32(29-21)19-9-5-2-6-10-19/h1-11,16-17H,12-15H2
InChIKeyIUHYMSCWUNXKMA-UHFFFAOYSA-N
MW467.56 g/mol
LogP3.90
Rot. Bonds4

About (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone

(1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 112814595) has the molecular formula C25H21N7OS and a molecular weight of 467.56 g/mol. Its IUPAC name is (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID112814595
Molecular FormulaC25H21N7OS
Molecular Weight467.56 g/mol
Exact Mass467.15
IUPAC Name(1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C25H21N7OS/c33-25(31-14-12-30(13-15-31)23-20-11-16-34-24(20)27-17-26-23)21-28-22(18-7-3-1-4-8-18)32(29-21)19-9-5-2-6-10-19/h1-11,16-17H,12-15H2
InChIKeyIUHYMSCWUNXKMA-UHFFFAOYSA-N
XLogP3.90
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

2-[Phenyl-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]thiazole
CID 3011483
4-[4-[(3-Methyl-2-thienyl)-phenyl-methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011486
4-(1-Benzothiophen-2-yl)-6-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 46846243
4-[4-[(3-Methyl-2-thienyl)-(o-tolyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011487
6-Phenyl-4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidine
CID 985269
N-Thiophen-2-ylmethyl-2-(1-o-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetamide
CID 652572
(4-Benzyl-piperazin-1-yl)-(5-thiophen-2-yl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-methanone
CID 1079610
1-[4-(6-Phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanone
CID 2105993
1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 2449628
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanone
CID 3193777
(1-Benzyl-3-tert-butylpyrazol-5-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 44526192
N-methyl-N-[1-[[1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 89579610

Frequently Asked Questions

What is the IUPAC name of (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone (CID 112814595) is (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone is O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is IUHYMSCWUNXKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7OS/c33-25(31-14-12-30(13-15-31)23-20-11-16-34-24(20)27-17-26-23)21-28-22(18-7-3-1-4-8-18)32(29-21)19-9-5-2-6-10-19/h1-11,16-17H,12-15H2.
What are the key properties of (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone?
(1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 467.56 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-diphenyl-1,2,4-triazol-3-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 112814595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).