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

C12H18N4O2S2 — CID 122563938

IUPAC1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
SMILESCCCc1nc(C)c(CNS(=O)(=O)c2cn(C)cn2)s1
InChIInChI=1S/C12H18N4O2S2/c1-4-5-11-15-9(2)10(19-11)6-14-20(17,18)12-7-16(3)8-13-12/h7-8,14H,4-6H2,1-3H3
InChIKeyZBCVQBXZIRQTHE-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.62
Rot. Bonds6

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

1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide (PubChem CID 122563938) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
PubChem CID122563938
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
SMILESCCCc1nc(C)c(CNS(=O)(=O)c2cn(C)cn2)s1
InChIInChI=1S/C12H18N4O2S2/c1-4-5-11-15-9(2)10(19-11)6-14-20(17,18)12-7-16(3)8-13-12/h7-8,14H,4-6H2,1-3H3
InChIKeyZBCVQBXZIRQTHE-UHFFFAOYSA-N
XLogP1.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide (CID 122563938) is 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide is CCCc1nc(C)c(CNS(=O)(=O)c2cn(C)cn2)s1.
What is the InChIKey of 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is ZBCVQBXZIRQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-4-5-11-15-9(2)10(19-11)6-14-20(17,18)12-7-16(3)8-13-12/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide?
1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 122563938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).