7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

C15H12BrN5OS — CID 5016727

IUPAC7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(Br)cc1C1C=C(c2cccs2)Nc2nnnn21
InChIInChI=1S/C15H12BrN5OS/c1-22-13-5-4-9(16)7-10(13)12-8-11(14-3-2-6-23-14)17-15-18-19-20-21(12)15/h2-8,12H,1H3,(H,17,18,20)
InChIKeyFXOLQECEAKHVRX-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.56
Rot. Bonds3

About 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine

7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 5016727) has the molecular formula C15H12BrN5OS and a molecular weight of 390.27 g/mol. Its IUPAC name is 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID5016727
Molecular FormulaC15H12BrN5OS
Molecular Weight390.27 g/mol
Exact Mass388.99
IUPAC Name7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(Br)cc1C1C=C(c2cccs2)Nc2nnnn21
InChIInChI=1S/C15H12BrN5OS/c1-22-13-5-4-9(16)7-10(13)12-8-11(14-3-2-6-23-14)17-15-18-19-20-21(12)15/h2-8,12H,1H3,(H,17,18,20)
InChIKeyFXOLQECEAKHVRX-UHFFFAOYSA-N
XLogP3.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-Methoxyphenyl)-7-(thiophen-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2950154
5-(5-Bromothien-2-yl)-7-(2,3-dimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 3237856
5-(4-Methoxyphenyl)-7-(3-methylthien-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3244971
N-[5-bromo-2-(2-thienylmethoxy)benzyl]-2-methyl-2H-tetrazol-5-amine
CID 1017081
5-(5-Bromothiophen-2-yl)-7-(2,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4059943
5-(5-Bromothiophen-2-yl)-7-(2,3-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4090004
5-(5-Bromothiophen-2-yl)-7-(2,4-dimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4127856
5-(5-Bromothiophen-2-yl)-7-(3,4-dimethoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4184492
7-(2-Ethoxyphenyl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4413586
7-(2,4-Dimethoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4994212
7-(5-Bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135732790
5-(5-Bromothiophen-2-yl)-7-[2-(difluoromethoxy)phenyl]-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 4175174

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 5016727) is 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is COc1ccc(Br)cc1C1C=C(c2cccs2)Nc2nnnn21.
What is the InChIKey of 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is FXOLQECEAKHVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5OS/c1-22-13-5-4-9(16)7-10(13)12-8-11(14-3-2-6-23-14)17-15-18-19-20-21(12)15/h2-8,12H,1H3,(H,17,18,20).
What are the key properties of 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine?
7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 390.27 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-2-methoxyphenyl)-5-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5016727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).