N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C18H15N5OS — CID 110384931

IUPACN-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nnc2sc(C(=O)N(Cc3ccccc3)c3ccccc3)nn12
InChIInChI=1S/C18H15N5OS/c1-13-19-20-18-23(13)21-16(25-18)17(24)22(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyWQHQIDSTYXSHEH-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.34
Rot. Bonds4

About N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384931) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384931
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC NameN-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESCc1nnc2sc(C(=O)N(Cc3ccccc3)c3ccccc3)nn12
InChIInChI=1S/C18H15N5OS/c1-13-19-20-18-23(13)21-16(25-18)17(24)22(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyWQHQIDSTYXSHEH-UHFFFAOYSA-N
XLogP3.34
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N,3-dimethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384800
N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384965
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110426430
N,N-diethyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384844
N-benzyl-N-ethyl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385008
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735
N-benzyl-N-ethyl-5-methylimidazo[5,1-b][1,3,4]thiadiazole-2-carboxamide
CID 72548750
N-benzyl-1-methyl-6-oxo-N-phenylpyridazine-3-carboxamide
CID 42161824
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenylacetamide
CID 953912
phenyl N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401105
N-benzyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 62044821
N-ethyl-4,5-dimethyl-N-phenyl-1,3-thiazole-2-carboxamide
CID 110696368

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384931) is N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is Cc1nnc2sc(C(=O)N(Cc3ccccc3)c3ccccc3)nn12.
What is the InChIKey of N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is WQHQIDSTYXSHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-13-19-20-18-23(13)21-16(25-18)17(24)22(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).