2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide

C8H10N4O2S2 — CID 62997777

IUPAC2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ncc(C)s2)[nH]1
InChIInChI=1S/C8H10N4O2S2/c1-5-3-10-8(15-5)12-16(13,14)7-4-9-6(2)11-7/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyCCLWPEPIAFRRCZ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.28
Rot. Bonds3

About 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide (PubChem CID 62997777) has the molecular formula C8H10N4O2S2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide
PubChem CID62997777
Molecular FormulaC8H10N4O2S2
Molecular Weight258.33 g/mol
Exact Mass258.02
IUPAC Name2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2ncc(C)s2)[nH]1
InChIInChI=1S/C8H10N4O2S2/c1-5-3-10-8(15-5)12-16(13,14)7-4-9-6(2)11-7/h3-4H,1-2H3,(H,9,11)(H,10,12)
InChIKeyCCLWPEPIAFRRCZ-UHFFFAOYSA-N
XLogP1.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide (CID 62997777) is 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2ncc(C)s2)[nH]1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is CCLWPEPIAFRRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S2/c1-5-3-10-8(15-5)12-16(13,14)7-4-9-6(2)11-7/h3-4H,1-2H3,(H,9,11)(H,10,12).
What are the key properties of 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide?
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 258.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62997777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).