5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one

C15H14N4OS — CID 136742802

IUPAC5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one
SMILESCNC(c1ccccc1)c1nnc(-c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C15H14N4OS/c1-16-13(10-5-3-2-4-6-10)15-19-18-14(21-15)11-7-8-12(20)17-9-11/h2-9,13,16H,1H3,(H,17,20)
InChIKeyQBVMIJSNHWZNHV-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.20
Rot. Bonds4

About 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one

5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one (PubChem CID 136742802) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one
PubChem CID136742802
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one
SMILESCNC(c1ccccc1)c1nnc(-c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C15H14N4OS/c1-16-13(10-5-3-2-4-6-10)15-19-18-14(21-15)11-7-8-12(20)17-9-11/h2-9,13,16H,1H3,(H,17,20)
InChIKeyQBVMIJSNHWZNHV-UHFFFAOYSA-N
XLogP2.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 137287503
1-[5-(1-cyclopropylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 83150302
2-benzhydryl-5-(4-methoxyphenyl)-1,3,4-thiadiazole
CID 51370258
1-[5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-thiadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 103213366
N-methyl-1-[5-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanamine
CID 79763740
2-(4-chloro-3-fluorophenyl)-5-[chloro(phenyl)methyl]-1,3,4-thiadiazole
CID 107995024
CID 11101944
CID 11101944
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
ethane;5-pyridin-2-yl-1H-pyridin-2-one
CID 144524289
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 114025396
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450

Frequently Asked Questions

What is the IUPAC name of 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one (CID 136742802) is 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one is CNC(c1ccccc1)c1nnc(-c2ccc(=O)[nH]c2)s1.
What is the InChIKey of 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one?
The InChIKey is QBVMIJSNHWZNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-16-13(10-5-3-2-4-6-10)15-19-18-14(21-15)11-7-8-12(20)17-9-11/h2-9,13,16H,1H3,(H,17,20).
What are the key properties of 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one?
5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one has a molecular weight of 298.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[methylamino(phenyl)methyl]-1,3,4-thiadiazol-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 136742802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).