N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide

C16H13ClN4O2S — CID 139521516

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1=O
InChIInChI=1S/C16H13ClN4O2S/c1-21-9-11(5-6-14(21)22)15(23)18-16-20-19-13(24-16)8-10-3-2-4-12(17)7-10/h2-7,9H,8H2,1H3,(H,18,20,23)
InChIKeyANQZJGAYMBSPPT-UHFFFAOYSA-N
MW360.83 g/mol
LogP2.73
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 139521516) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID139521516
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1=O
InChIInChI=1S/C16H13ClN4O2S/c1-21-9-11(5-6-14(21)22)15(23)18-16-20-19-13(24-16)8-10-3-2-4-12(17)7-10/h2-7,9H,8H2,1H3,(H,18,20,23)
InChIKeyANQZJGAYMBSPPT-UHFFFAOYSA-N
XLogP2.73
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide;hydrochloride
CID 68763771
2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide;hydrochloride
CID 119336923
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3,5-dichlorobenzamide
CID 30581878
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 119336943
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-iodobenzamide
CID 38903577
7-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]heptanamide;hydrochloride
CID 119807008
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methylpropanoylamino)benzamide
CID 1303973
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-(propanoylamino)benzamide
CID 17257371
N-[4-[(3-chlorophenyl)methyl]cyclohexyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 155153026
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336928
3-chloro-N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 108756218

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide (CID 139521516) is N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1=O.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is ANQZJGAYMBSPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-21-9-11(5-6-14(21)22)15(23)18-16-20-19-13(24-16)8-10-3-2-4-12(17)7-10/h2-7,9H,8H2,1H3,(H,18,20,23).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 360.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 139521516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).