2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide

C12H18N4O2S2 — CID 122556777

IUPAC2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2sc(CC)nc2C)[nH]1
InChIInChI=1S/C12H18N4O2S2/c1-4-10-13-7-12(16-10)20(17,18)14-6-9-8(3)15-11(5-2)19-9/h7,14H,4-6H2,1-3H3,(H,13,16)
InChIKeyBMQSTDKXIGMZQW-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.78
Rot. Bonds6

About 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide

2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 122556777) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID122556777
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NCc2sc(CC)nc2C)[nH]1
InChIInChI=1S/C12H18N4O2S2/c1-4-10-13-7-12(16-10)20(17,18)14-6-9-8(3)15-11(5-2)19-9/h7,14H,4-6H2,1-3H3,(H,13,16)
InChIKeyBMQSTDKXIGMZQW-UHFFFAOYSA-N
XLogP1.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-4-sulfonamide
CID 122563938
1-(4-Imidazolylsulfonyl)-2-ethyl-4-methylimidazole
CID 21565033
2-(1H-imidazol-5-yl)-1,3-thiazole-5-sulfonamide
CID 69132480
5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]sulfonyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 123280517
[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methyl[(4-methyl-1H-imidazol-2-yl)methyl]amine bis(trifluoroacetate)
CID 28331291
N-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-yl-1H-imidazole-5-sulfonamide
CID 56795165
1-(2-methyl-1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 62741818
1-(2-methyl-1H-imidazol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62742741
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 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide (CID 122556777) is 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NCc2sc(CC)nc2C)[nH]1.
What is the InChIKey of 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is BMQSTDKXIGMZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-4-10-13-7-12(16-10)20(17,18)14-6-9-8(3)15-11(5-2)19-9/h7,14H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide?
2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 122556777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).