5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide

C7H10N6O2S2 — CID 113383240

IUPAC5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H10N6O2S2/c1-13(4-5-9-2-3-10-5)17(14,15)7-12-11-6(8)16-7/h2-3H,4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyVMBGVLOIHPYAFI-UHFFFAOYSA-N
MW274.33 g/mol
LogP-0.34
Rot. Bonds4

About 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383240) has the molecular formula C7H10N6O2S2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383240
Molecular FormulaC7H10N6O2S2
Molecular Weight274.33 g/mol
Exact Mass274.03
IUPAC Name5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1nnc(N)s1
InChIInChI=1S/C7H10N6O2S2/c1-13(4-5-9-2-3-10-5)17(14,15)7-12-11-6(8)16-7/h2-3H,4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyVMBGVLOIHPYAFI-UHFFFAOYSA-N
XLogP-0.34
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721
3-amino-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzenesulfonamide
CID 64512154
5-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271336
5-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazole-2-sulfonamide
CID 113383229
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylethanesulfonamide
CID 64511725
3-amino-N-(1H-imidazol-2-ylmethyl)-N,2,6-trimethylbenzenesulfonamide
CID 64511956
3-amino-4-bromo-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 115329450
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
2-amino-4,6-dichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64510402
2,4,6-trichloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64518046

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide (CID 113383240) is 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1nnc(N)s1.
What is the InChIKey of 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is VMBGVLOIHPYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S2/c1-13(4-5-9-2-3-10-5)17(14,15)7-12-11-6(8)16-7/h2-3H,4H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 274.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).