N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine

C5H3N5O3S3 — CID 170454170

IUPACN-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine
SMILESO=[N+]([O-])c1cnc(Sc2nnc(NO)s2)s1
InChIInChI=1S/C5H3N5O3S3/c11-9-3-7-8-5(15-3)16-4-6-1-2(14-4)10(12)13/h1,11H,(H,7,9)
InChIKeyAUHHHPULFXDZGE-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.86
Rot. Bonds4

About N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine

N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine (PubChem CID 170454170) has the molecular formula C5H3N5O3S3 and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine
PubChem CID170454170
Molecular FormulaC5H3N5O3S3
Molecular Weight277.31 g/mol
Exact Mass276.94
IUPAC NameN-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine
SMILESO=[N+]([O-])c1cnc(Sc2nnc(NO)s2)s1
InChIInChI=1S/C5H3N5O3S3/c11-9-3-7-8-5(15-3)16-4-6-1-2(14-4)10(12)13/h1,11H,(H,7,9)
InChIKeyAUHHHPULFXDZGE-UHFFFAOYSA-N
XLogP1.86
TPSA114.07 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]formamide
CID 22132867
N-(2-chlorophenyl)-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18778734
2-tert-butyl-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 18707592
2-butyl-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 18707534
2-(2,4-dinitrophenyl)-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 140985458
5-nitro-2-[(2,3,5,6-tetrachloro-4-pyridinyl)sulfanyl]-1,3-thiazole
CID 21325006
[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]methanol
CID 102771204
2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazole
CID 2746764
2-(2-tert-butylphenyl)sulfanyl-5-nitro-1,3-thiazole
CID 173319985
3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 102771198
3-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 102770092
diethyl 2-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1H-imidazole-4,5-dicarboxylate
CID 22132842

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine?
The IUPAC name of N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine (CID 170454170) is N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine.
What is the SMILES notation for N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine?
The canonical SMILES for N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine is O=[N+]([O-])c1cnc(Sc2nnc(NO)s2)s1.
What is the InChIKey of N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine?
The InChIKey is AUHHHPULFXDZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O3S3/c11-9-3-7-8-5(15-3)16-4-6-1-2(14-4)10(12)13/h1,11H,(H,7,9).
What are the key properties of N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine?
N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine has a molecular weight of 277.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]hydroxylamine is sourced from PubChem (CID 170454170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).