6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H18N4O2S2 — CID 62149971

IUPAC6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(N)nc3sccn23)CC1
InChIInChI=1S/C12H18N4O2S2/c1-8-2-4-9(5-3-8)15-20(17,18)11-10(13)14-12-16(11)6-7-19-12/h6-9,15H,2-5,13H2,1H3
InChIKeyMBPJUCBDXJCLOL-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.84
Rot. Bonds3

About 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62149971) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62149971
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC Name6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2c(N)nc3sccn23)CC1
InChIInChI=1S/C12H18N4O2S2/c1-8-2-4-9(5-3-8)15-20(17,18)11-10(13)14-12-16(11)6-7-19-12/h6-9,15H,2-5,13H2,1H3
InChIKeyMBPJUCBDXJCLOL-UHFFFAOYSA-N
XLogP1.84
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62149971) is 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC1CCC(NS(=O)(=O)c2c(N)nc3sccn23)CC1.
What is the InChIKey of 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is MBPJUCBDXJCLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-8-2-4-9(5-3-8)15-20(17,18)11-10(13)14-12-16(11)6-7-19-12/h6-9,15H,2-5,13H2,1H3.
What are the key properties of 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-methylcyclohexyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62149971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).