2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C24H23N7OS — CID 95060546

IUPAC2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C24H23N7OS/c1-15-4-8-18(9-5-15)20-12-21(19-10-6-16(2)7-11-19)31-24(27-28-29-31)30(20)13-22(32)26-23-25-17(3)14-33-23/h4-12,14,21H,13H2,1-3H3,(H,25,26,32)/t21-/m1/s1
InChIKeyVMDBSTSGERUTFB-OAQYLSRUSA-N
MW457.56 g/mol
LogP4.14
Rot. Bonds5

About 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 95060546) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID95060546
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C24H23N7OS/c1-15-4-8-18(9-5-15)20-12-21(19-10-6-16(2)7-11-19)31-24(27-28-29-31)30(20)13-22(32)26-23-25-17(3)14-33-23/h4-12,14,21H,13H2,1-3H3,(H,25,26,32)/t21-/m1/s1
InChIKeyVMDBSTSGERUTFB-OAQYLSRUSA-N
XLogP4.14
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[7-(4-chlorophenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 53046627
2-[(7S)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 95060501
N-(4-fluorophenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060245
N-(2,4-dimethylphenyl)-2-[(7S)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060254
N-(3-chlorophenyl)-2-[(7S)-7-(4-methylphenyl)-5-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060394
N-(4-ethoxyphenyl)-2-[(7R)-5-(4-methylphenyl)-7-phenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 95060267
N-(3,4-difluorophenyl)-2-(5,7-diphenyl-7H-tetrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 53046417
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7662459
N-(4-methyl-1,3-thiazol-2-yl)-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 20931286
2-[5-(4-methylphenyl)tetrazol-1-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9421444
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 51158648
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 95060546) is 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is VMDBSTSGERUTFB-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23N7OS/c1-15-4-8-18(9-5-15)20-12-21(19-10-6-16(2)7-11-19)31-24(27-28-29-31)30(20)13-22(32)26-23-25-17(3)14-33-23/h4-12,14,21H,13H2,1-3H3,(H,25,26,32)/t21-/m1/s1.
What are the key properties of 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 457.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-5,7-bis(4-methylphenyl)-7H-tetrazolo[1,5-a]pyrimidin-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 95060546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).