N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C21H15N7OS — CID 93242371

IUPACN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1nc2ncccn2n1
InChIInChI=1S/C21H15N7OS/c29-18(17-23-20-22-12-7-13-28(20)27-17)24-21-26-25-19(30-21)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,16H,(H,24,26,29)
InChIKeyNKAPSCIQCKWCQF-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.41
Rot. Bonds5

About N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 93242371) has the molecular formula C21H15N7OS and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID93242371
Molecular FormulaC21H15N7OS
Molecular Weight413.47 g/mol
Exact Mass413.11
IUPAC NameN-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1nc2ncccn2n1
InChIInChI=1S/C21H15N7OS/c29-18(17-23-20-22-12-7-13-28(20)27-17)24-21-26-25-19(30-21)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,16H,(H,24,26,29)
InChIKeyNKAPSCIQCKWCQF-UHFFFAOYSA-N
XLogP3.41
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide 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

N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-4-methylbenzamide
CID 71946256
methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
CID 821880
N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824572
N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315703
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 46975630
(2S)-N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 92627254
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 19583672
4-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)thiophene-3-carboxylic acid
CID 58295516
N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946235
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824615
N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315733

Frequently Asked Questions

What is the IUPAC name of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 93242371) is N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1nc2ncccn2n1.
What is the InChIKey of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NKAPSCIQCKWCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N7OS/c29-18(17-23-20-22-12-7-13-28(20)27-17)24-21-26-25-19(30-21)16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13,16H,(H,24,26,29).
What are the key properties of N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 93242371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).