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

C12H20N4O3S2 — CID 62158734

IUPACN-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C12H20N4O3S2/c1-3-4-5-15(6-8-17)21(18,19)11-10(13-2)14-12-16(11)7-9-20-12/h7,9,13,17H,3-6,8H2,1-2H3
InChIKeyKIPMTLBKHMRRCN-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.22
Rot. Bonds8

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

N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62158734) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62158734
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC NameN-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCCCCN(CCO)S(=O)(=O)c1c(NC)nc2sccn12
InChIInChI=1S/C12H20N4O3S2/c1-3-4-5-15(6-8-17)21(18,19)11-10(13-2)14-12-16(11)7-9-20-12/h7,9,13,17H,3-6,8H2,1-2H3
InChIKeyKIPMTLBKHMRRCN-UHFFFAOYSA-N
XLogP1.22
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62158734) is N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CCCCN(CCO)S(=O)(=O)c1c(NC)nc2sccn12.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is KIPMTLBKHMRRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-3-4-5-15(6-8-17)21(18,19)11-10(13-2)14-12-16(11)7-9-20-12/h7,9,13,17H,3-6,8H2,1-2H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62158734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).