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

C9H12N4O2S2 — CID 113251866

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cnc[nH]2)s1
InChIInChI=1S/C9H12N4O2S2/c1-6-3-11-9(16-6)7(2)13-17(14,15)8-4-10-5-12-8/h3-5,7,13H,1-2H3,(H,10,12)
InChIKeyPOLBJDNGEJEOHG-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.21
Rot. Bonds4

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide (PubChem CID 113251866) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
PubChem CID113251866
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2cnc[nH]2)s1
InChIInChI=1S/C9H12N4O2S2/c1-6-3-11-9(16-6)7(2)13-17(14,15)8-4-10-5-12-8/h3-5,7,13H,1-2H3,(H,10,12)
InChIKeyPOLBJDNGEJEOHG-UHFFFAOYSA-N
XLogP1.21
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Imidazolylsulfonyl)-2-ethyl-4-methylimidazole
CID 21565033
2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 69132480
N,N-dimethylpropane-1-sulfonamide;5-ethyl-1H-imidazole;5-ethyl-1,3-thiazole;pentan-1-amine
CID 158532714
1,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)imidazole-4-sulfonamide
CID 51108618
N-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 56795165
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 62063011
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62065170
N-[5-(3-aminoprop-1-ynyl)-1,3-thiazol-2-yl]-1-methylimidazole-4-sulfonamide
CID 62375469
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide
CID 62997777
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998149
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998511
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-imidazole-5-sulfonamide
CID 62999978

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide (CID 113251866) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2cnc[nH]2)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
The InChIKey is POLBJDNGEJEOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-6-3-11-9(16-6)7(2)13-17(14,15)8-4-10-5-12-8/h3-5,7,13H,1-2H3,(H,10,12).
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide has a molecular weight of 272.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 113251866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).