N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide

C19H15N5OS — CID 47060460

IUPACN-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(CSc2nc3ncccn3n2)c1
InChIInChI=1S/C19H15N5OS/c25-17(21-16-8-2-1-3-9-16)15-7-4-6-14(12-15)13-26-19-22-18-20-10-5-11-24(18)23-19/h1-12H,13H2,(H,21,25)
InChIKeyLZXCXJKDMIEBCV-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.67
Rot. Bonds5

About N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide

N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide (PubChem CID 47060460) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide
PubChem CID47060460
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(CSc2nc3ncccn3n2)c1
InChIInChI=1S/C19H15N5OS/c25-17(21-16-8-2-1-3-9-16)15-7-4-6-14(12-15)13-26-19-22-18-20-10-5-11-24(18)23-19/h1-12H,13H2,(H,21,25)
InChIKeyLZXCXJKDMIEBCV-UHFFFAOYSA-N
XLogP3.67
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide 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-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
CID 851612
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
2-(2-phenylethylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 134010697
N-(4-chlorophenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 41351214
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826
2-(3-phenylpropylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 52544189
N-phenyl-3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide
CID 55861309
N-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824572
N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597650
2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
CID 18130908
N-phenyl-3-(sulfanylmethyl)benzamide
CID 18007783
3-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenylbenzamide
CID 55860927

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide (CID 47060460) is N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide is O=C(Nc1ccccc1)c1cccc(CSc2nc3ncccn3n2)c1.
What is the InChIKey of N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide?
The InChIKey is LZXCXJKDMIEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-17(21-16-8-2-1-3-9-16)15-7-4-6-14(12-15)13-26-19-22-18-20-10-5-11-24(18)23-19/h1-12H,13H2,(H,21,25).
What are the key properties of N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide?
N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide has a molecular weight of 361.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 47060460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).