N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide

C13H12N6O2S — CID 11652600

IUPACN-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide
SMILESNc1nonc1-c1csc(NC(=O)CNc2ccccc2)n1
InChIInChI=1S/C13H12N6O2S/c14-12-11(18-21-19-12)9-7-22-13(16-9)17-10(20)6-15-8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H2,14,19)(H,16,17,20)
InChIKeyLGMPZEIKKHTKCI-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.83
Rot. Bonds5

About N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide

N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide (PubChem CID 11652600) has the molecular formula C13H12N6O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide.

Molecular Properties

Compound NameN-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide
PubChem CID11652600
Molecular FormulaC13H12N6O2S
Molecular Weight316.35 g/mol
Exact Mass316.07
IUPAC NameN-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide
SMILESNc1nonc1-c1csc(NC(=O)CNc2ccccc2)n1
InChIInChI=1S/C13H12N6O2S/c14-12-11(18-21-19-12)9-7-22-13(16-9)17-10(20)6-15-8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H2,14,19)(H,16,17,20)
InChIKeyLGMPZEIKKHTKCI-UHFFFAOYSA-N
XLogP1.83
TPSA118.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[2-[[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl] methanesulfonate
CID 11552975
4-[2-[2-(2,3-dimethylphenyl)ethylamino]-1,3-thiazol-4-yl]-1,2,5-oxadiazol-3-amine
CID 143009009
3-benzyl-4-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 87311038
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552913
2-[[5-(4-acetamido-1,2,5-oxadiazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 23610349
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 9457624
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
2-[(2E)-2-benzylidenehydrazinyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 24865723
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide?
The IUPAC name of N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide (CID 11652600) is N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide.
What is the SMILES notation for N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide?
The canonical SMILES for N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide is Nc1nonc1-c1csc(NC(=O)CNc2ccccc2)n1.
What is the InChIKey of N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide?
The InChIKey is LGMPZEIKKHTKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S/c14-12-11(18-21-19-12)9-7-22-13(16-9)17-10(20)6-15-8-4-2-1-3-5-8/h1-5,7,15H,6H2,(H2,14,19)(H,16,17,20).
What are the key properties of N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide?
N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide has a molecular weight of 316.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-1,2,5-oxadiazol-3-yl)-1,3-thiazol-2-yl]-2-anilinoacetamide is sourced from PubChem (CID 11652600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).