5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide

C9H11ClN4O2S2 — CID 55173032

IUPAC5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
SMILESCc1ncsc1CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H11ClN4O2S2/c1-6-7(17-5-12-6)3-13-18(15,16)9-8(10)14(2)4-11-9/h4-5,13H,3H2,1-2H3
InChIKeyQEKBUPSZTGZCLO-UHFFFAOYSA-N
MW306.80 g/mol
LogP1.32
Rot. Bonds4

About 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide (PubChem CID 55173032) has the molecular formula C9H11ClN4O2S2 and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
PubChem CID55173032
Molecular FormulaC9H11ClN4O2S2
Molecular Weight306.80 g/mol
Exact Mass306.00
IUPAC Name5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
SMILESCc1ncsc1CNS(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H11ClN4O2S2/c1-6-7(17-5-12-6)3-13-18(15,16)9-8(10)14(2)4-11-9/h4-5,13H,3H2,1-2H3
InChIKeyQEKBUPSZTGZCLO-UHFFFAOYSA-N
XLogP1.32
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55259471
5-chloro-1-methyl-N-[(4-methylphenyl)methyl]imidazole-4-sulfonamide
CID 43415290
5-chloro-1-methyl-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 43415294
5-chloro-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]imidazole-4-sulfonamide
CID 62847232
5-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methylimidazole-4-sulfonamide
CID 103858731
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63373679
N-(3-aminopropyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61247762
N-(4-aminobutyl)-5-chloro-1-methylimidazole-4-sulfonamide
CID 61250573
5-chloro-N-(2-methoxypropyl)-1-methylimidazole-4-sulfonamide
CID 102697795
5-chloro-N-(3-hydroxy-2-methylpropyl)-1-methylimidazole-4-sulfonamide
CID 65035723
5-chloro-1-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]imidazole-4-sulfonamide
CID 92861335
4-(methylamino)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 63283497

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide (CID 55173032) is 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide is Cc1ncsc1CNS(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is QEKBUPSZTGZCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2S2/c1-6-7(17-5-12-6)3-13-18(15,16)9-8(10)14(2)4-11-9/h4-5,13H,3H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 306.80 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 55173032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).