N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H18N4O2S2 — CID 63859228

IUPACN-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C12H18N4O2S2/c1-8-6-9(8)7-15(3)20(17,18)11-10(13-2)14-12-16(11)4-5-19-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyBDXVXBLZRVSSHL-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.71
Rot. Bonds5

About N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63859228) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63859228
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC NameN-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)N(C)CC1CC1C
InChIInChI=1S/C12H18N4O2S2/c1-8-6-9(8)7-15(3)20(17,18)11-10(13-2)14-12-16(11)4-5-19-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyBDXVXBLZRVSSHL-UHFFFAOYSA-N
XLogP1.71
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63859228) is N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)N(C)CC1CC1C.
What is the InChIKey of N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is BDXVXBLZRVSSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-8-6-9(8)7-15(3)20(17,18)11-10(13-2)14-12-16(11)4-5-19-12/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(methylamino)-N-[(2-methylcyclopropyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63859228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).