5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride

C6H9ClN6O2S — CID 21390815

IUPAC5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride
SMILESCl.Cn1c([N+](=O)[O-])cnc1C1=CNN(N)S1
InChIInChI=1S/C6H8N6O2S.ClH/c1-10-5(11(13)14)3-8-6(10)4-2-9-12(7)15-4;/h2-3,9H,7H2,1H3;1H
InChIKeyMPFBAAKZIGLQHI-UHFFFAOYSA-N
MW264.70 g/mol
LogP0.39
Rot. Bonds2

About 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride

5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride (PubChem CID 21390815) has the molecular formula C6H9ClN6O2S and a molecular weight of 264.70 g/mol. Its IUPAC name is 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride
PubChem CID21390815
Molecular FormulaC6H9ClN6O2S
Molecular Weight264.70 g/mol
Exact Mass264.02
IUPAC Name5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride
SMILESCl.Cn1c([N+](=O)[O-])cnc1C1=CNN(N)S1
InChIInChI=1S/C6H8N6O2S.ClH/c1-10-5(11(13)14)3-8-6(10)4-2-9-12(7)15-4;/h2-3,9H,7H2,1H3;1H
InChIKeyMPFBAAKZIGLQHI-UHFFFAOYSA-N
XLogP0.39
TPSA102.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.70
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(1-methyl-5-nitroimidazol-2-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3H-thiadiazole
CID 21390853
5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine
CID 29698
5-(1-methyl-5-nitroimidazol-2-yl)-3H-1,3,4-thiadiazole-2-thione
CID 14594849
1-(deuteriomethyl)-2-methyl-5-nitroimidazole
CID 169225400
1-methyl-5-nitro-2-(5-nitrofuran-2-yl)imidazole
CID 14469464
2,6-bis(1-methyl-5-nitroimidazol-2-yl)pyridine;vanadium;trichloride
CID 173244562
3-ethylsulfanyl-4-methyl-5-(1-methyl-5-nitroimidazol-2-yl)-1,2,4-triazole
CID 11807684
2-(iodomethyl)-1-methyl-5-nitroimidazole
CID 54503644
1-methyl-2-(4-methylsulfonylphenyl)-5-nitroimidazole
CID 22998231
1-methyl-5-nitroimidazole-2-carboxylic acid;hydrochloride
CID 70636535
4-ethyl-3-(1-methyl-5-nitroimidazol-2-yl)-1H-1,2,4-triazole-5-thione
CID 10037941
1-methyl-5-nitroimidazole-2-carbonyl bromide
CID 54569789

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride (CID 21390815) is 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride is Cl.Cn1c([N+](=O)[O-])cnc1C1=CNN(N)S1.
What is the InChIKey of 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride?
The InChIKey is MPFBAAKZIGLQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2S.ClH/c1-10-5(11(13)14)3-8-6(10)4-2-9-12(7)15-4;/h2-3,9H,7H2,1H3;1H.
What are the key properties of 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride?
5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride has a molecular weight of 264.70 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-5-nitroimidazol-2-yl)-3H-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 21390815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).