N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine

C10H11N5O3S2 — CID 18194883

IUPACN-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2ncccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H11N5O3S2/c1-18-6-5-12-9-13-14-10(20-9)19-8-7(15(16)17)3-2-4-11-8/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyUXIRWJRXDMZFLJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.05
Rot. Bonds7

About N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18194883) has the molecular formula C10H11N5O3S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18194883
Molecular FormulaC10H11N5O3S2
Molecular Weight313.36 g/mol
Exact Mass313.03
IUPAC NameN-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2ncccc2[N+](=O)[O-])s1
InChIInChI=1S/C10H11N5O3S2/c1-18-6-5-12-9-13-14-10(20-9)19-8-7(15(16)17)3-2-4-11-8/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyUXIRWJRXDMZFLJ-UHFFFAOYSA-N
XLogP2.05
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine 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-(3-ethoxypropyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 17495846
2-methylsulfanyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 17399569
N-(2-methoxyethyl)-5-(4-methyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 133413670
2-(2-methoxyethylsulfanyl)-3-nitropyridine
CID 133275081
5-[(3-nitro-2-pyridinyl)sulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 4967273
5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 4819058
5-[(3-nitro-2-pyridinyl)sulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2765811
2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-quinolin-5-ylacetamide
CID 17427141
N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 133407778
5-[2-(benzenesulfonyl)ethylsulfanyl]-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 55479428
5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 18191348

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 18194883) is N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine is COCCNc1nnc(Sc2ncccc2[N+](=O)[O-])s1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UXIRWJRXDMZFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S2/c1-18-6-5-12-9-13-14-10(20-9)19-8-7(15(16)17)3-2-4-11-8/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 313.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18194883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).