5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine

C20H12ClN7S — CID 3504805

IUPAC5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine
SMILESClc1ccc(-n2nnnc2-c2cnc(-c3ccccn3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H12ClN7S/c21-13-6-8-14(9-7-13)28-20(25-26-27-28)15-12-23-19(16-4-1-2-10-22-16)24-18(15)17-5-3-11-29-17/h1-12H
InChIKeyJGJORFRWUOJXAS-UHFFFAOYSA-N
MW417.89 g/mol
LogP4.56
Rot. Bonds4

About 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine

5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine (PubChem CID 3504805) has the molecular formula C20H12ClN7S and a molecular weight of 417.89 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine
PubChem CID3504805
Molecular FormulaC20H12ClN7S
Molecular Weight417.89 g/mol
Exact Mass417.06
IUPAC Name5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine
SMILESClc1ccc(-n2nnnc2-c2cnc(-c3ccccn3)nc2-c2cccs2)cc1
InChIInChI=1S/C20H12ClN7S/c21-13-6-8-14(9-7-13)28-20(25-26-27-28)15-12-23-19(16-4-1-2-10-22-16)24-18(15)17-5-3-11-29-17/h1-12H
InChIKeyJGJORFRWUOJXAS-UHFFFAOYSA-N
XLogP4.56
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
4-Chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine
CID 164616101
5-[(5-Chloro-2-thienyl)methyl]-2-phenyl-5h-imidazo[4,5-c]pyridine
CID 10064916
4-(5-Chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767207
3-[(3-Chlorophenyl)methyl]-7-piperazin-1-yl-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 126720370
5-[1-(4-chlorophenyl)-1H-tetraazol-5-yl]-2-(2-thienyl)-4-(trifluoromethyl)pyrimidine
CID 1046850
4-[4-[(3-Methyl-2-thienyl)-(2-pyridyl)methyl]piperazin-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine
CID 3011489
[(1-tert-Butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(2-chloro-benzyl)-pyridin-3-ylmethyl-amine
CID 3193699
7-(2-Chlorophenyl)-13-methyl-4-[2-(5-pyridin-2-ylthiophen-2-yl)ethyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CID 15084158
7-(2-chlorophenyl)-13-methyl-4-[(Z)-2-pyridin-2-ylethenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
CID 44281731
(1R)-N'-[5-chloro-2-(5-chloro-2-pyridinyl)-6-methylpyrimidin-4-yl]-1-phenyl-N-(4-thiophen-2-ylbutyl)ethane-1,2-diamine
CID 71602650
1,3-Diphenyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridine
CID 164626400

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
The IUPAC name of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine (CID 3504805) is 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine is Clc1ccc(-n2nnnc2-c2cnc(-c3ccccn3)nc2-c2cccs2)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
The InChIKey is JGJORFRWUOJXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN7S/c21-13-6-8-14(9-7-13)28-20(25-26-27-28)15-12-23-19(16-4-1-2-10-22-16)24-18(15)17-5-3-11-29-17/h1-12H.
What are the key properties of 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine?
5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine has a molecular weight of 417.89 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)tetrazol-5-yl]-2-pyridin-2-yl-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 3504805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).