N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide

C10H15N3O2S2 — CID 5310488

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cn2c(C)csc2n1
InChIInChI=1S/C10H15N3O2S2/c1-3-4-17(14,15)11-5-9-6-13-8(2)7-16-10(13)12-9/h6-7,11H,3-5H2,1-2H3
InChIKeyKKSHWAITTSRIHM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.53
Rot. Bonds5

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide (PubChem CID 5310488) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide
PubChem CID5310488
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cn2c(C)csc2n1
InChIInChI=1S/C10H15N3O2S2/c1-3-4-17(14,15)11-5-9-6-13-8(2)7-16-10(13)12-9/h6-7,11H,3-5H2,1-2H3
InChIKeyKKSHWAITTSRIHM-UHFFFAOYSA-N
XLogP1.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide (CID 5310488) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cn2c(C)csc2n1.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide?
The InChIKey is KKSHWAITTSRIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-3-4-17(14,15)11-5-9-6-13-8(2)7-16-10(13)12-9/h6-7,11H,3-5H2,1-2H3.
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide has a molecular weight of 273.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 5310488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).