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

C11H18N4O3S2 — CID 62146195

IUPACN-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)N(C)CCO
InChIInChI=1S/C11H18N4O3S2/c1-3-4-12-9-10(15-6-8-19-11(15)13-9)20(17,18)14(2)5-7-16/h6,8,12,16H,3-5,7H2,1-2H3
InChIKeyDJVUZHUKEDLOAM-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.83
Rot. Bonds7

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

N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62146195) has the molecular formula C11H18N4O3S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62146195
Molecular FormulaC11H18N4O3S2
Molecular Weight318.42 g/mol
Exact Mass318.08
IUPAC NameN-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCNc1nc2sccn2c1S(=O)(=O)N(C)CCO
InChIInChI=1S/C11H18N4O3S2/c1-3-4-12-9-10(15-6-8-19-11(15)13-9)20(17,18)14(2)5-7-16/h6,8,12,16H,3-5,7H2,1-2H3
InChIKeyDJVUZHUKEDLOAM-UHFFFAOYSA-N
XLogP0.83
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62146195) is N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCNc1nc2sccn2c1S(=O)(=O)N(C)CCO.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DJVUZHUKEDLOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S2/c1-3-4-12-9-10(15-6-8-19-11(15)13-9)20(17,18)14(2)5-7-16/h6,8,12,16H,3-5,7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-6-(propylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62146195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).