N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C14H20N4O3S2 — CID 96578265

IUPACN-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCS(=O)(=O)N1CCCC[C@@H](NC(=O)c2cn3ccsc3n2)C1
InChIInChI=1S/C14H20N4O3S2/c1-2-23(20,21)18-6-4-3-5-11(9-18)15-13(19)12-10-17-7-8-22-14(17)16-12/h7-8,10-11H,2-6,9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyCGJDMGSBFFPGPS-LLVKDONJSA-N
MW356.47 g/mol
LogP1.33
Rot. Bonds4

About N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 96578265) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID96578265
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC NameN-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCCS(=O)(=O)N1CCCC[C@@H](NC(=O)c2cn3ccsc3n2)C1
InChIInChI=1S/C14H20N4O3S2/c1-2-23(20,21)18-6-4-3-5-11(9-18)15-13(19)12-10-17-7-8-22-14(17)16-12/h7-8,10-11H,2-6,9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyCGJDMGSBFFPGPS-LLVKDONJSA-N
XLogP1.33
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 96578265) is N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CCS(=O)(=O)N1CCCC[C@@H](NC(=O)c2cn3ccsc3n2)C1.
What is the InChIKey of N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is CGJDMGSBFFPGPS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-2-23(20,21)18-6-4-3-5-11(9-18)15-13(19)12-10-17-7-8-22-14(17)16-12/h7-8,10-11H,2-6,9H2,1H3,(H,15,19)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylsulfonylazepan-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 96578265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).