N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide

C17H16N4OS2 — CID 169103848

IUPACN-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide
SMILESCNC(=O)C(C)Sc1nnc(-c2ccsc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H16N4OS2/c1-11(16(22)18-2)24-17-19-14(12-6-4-3-5-7-12)15(20-21-17)13-8-9-23-10-13/h3-11H,1-2H3,(H,18,22)
InChIKeyYMLBLBCKFKDMOX-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.49
Rot. Bonds5

About N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide

N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide (PubChem CID 169103848) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide
PubChem CID169103848
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC NameN-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide
SMILESCNC(=O)C(C)Sc1nnc(-c2ccsc2)c(-c2ccccc2)n1
InChIInChI=1S/C17H16N4OS2/c1-11(16(22)18-2)24-17-19-14(12-6-4-3-5-7-12)15(20-21-17)13-8-9-23-10-13/h3-11H,1-2H3,(H,18,22)
InChIKeyYMLBLBCKFKDMOX-UHFFFAOYSA-N
XLogP3.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The IUPAC name of N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide (CID 169103848) is N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide.
What is the SMILES notation for N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The canonical SMILES for N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide is CNC(=O)C(C)Sc1nnc(-c2ccsc2)c(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
The InChIKey is YMLBLBCKFKDMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-11(16(22)18-2)24-17-19-14(12-6-4-3-5-7-12)15(20-21-17)13-8-9-23-10-13/h3-11H,1-2H3,(H,18,22).
What are the key properties of N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide?
N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide has a molecular weight of 356.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-phenyl-6-thiophen-3-yl-1,2,4-triazin-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 169103848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).