3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide

C11H13N5O3S — CID 136594862

IUPAC3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC2=NS(=O)N=C2N)c1O
InChIInChI=1S/C11H13N5O3S/c1-16(2)11(18)6-4-3-5-7(8(6)17)13-10-9(12)14-20(19)15-10/h3-5,17H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNICRGDZZVLAYIZ-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.15
Rot. Bonds2

About 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide

3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 136594862) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID136594862
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC2=NS(=O)N=C2N)c1O
InChIInChI=1S/C11H13N5O3S/c1-16(2)11(18)6-4-3-5-7(8(6)17)13-10-9(12)14-20(19)15-10/h3-5,17H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNICRGDZZVLAYIZ-UHFFFAOYSA-N
XLogP-0.15
TPSA120.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[[(1R)-1-(furan-2-yl)-2-methylprop-2-enyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142883144
3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
CID 88939329
3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane
CID 158082172
3-[[4-(2-bromoanilino)-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 135458341
3-[[4-[(4,5-dimethylfuran-2-yl)methylamino]-1-oxo-1,2,5-thiadiazol-3-yl]methylamino]-2-hydroxy-N,N-dimethylbenzamide;propane
CID 142883643
3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxycyclobut-3-ene-1,2-dione;2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N-dimethylbenzamide
CID 160573719
3-[[5-(benzylamino)-1,2-dimethyl-3,6-dioxopyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142262465
2-[[4-[[(R)-cyclopropyl(phenyl)methyl]amino]-1-oxo-1,2,5-thiadiazol-3-yl]amino]-6-[1-(dimethylamino)ethenyl]phenol
CID 143076870
3-[(4-benzylimino-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 136594738
3-[(4-chloro-1-methyl-2,5-dioxopyrrol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20795719
2-hydroxy-3-[[5-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-1,2-dimethyl-3,6-dioxopyridazin-4-yl]amino]-N,N-dimethylbenzamide
CID 59996717
ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane
CID 142262584

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide (CID 136594862) is 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC2=NS(=O)N=C2N)c1O.
What is the InChIKey of 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is NICRGDZZVLAYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-16(2)11(18)6-4-3-5-7(8(6)17)13-10-9(12)14-20(19)15-10/h3-5,17H,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 295.32 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 136594862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).