2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide

C19H18ClN5O4S2 — CID 11283016

IUPAC2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
InChIInChI=1S/C19H18ClN5O4S2/c1-3-24(4-2)17(27)15(26)13-10-21-14-6-5-11(9-12(13)14)23-31(28,29)18-16(20)22-19-25(18)7-8-30-19/h5-10,21,23H,3-4H2,1-2H3
InChIKeySBBOTEUDTOUGQK-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.38
Rot. Bonds7

About 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide

2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide (PubChem CID 11283016) has the molecular formula C19H18ClN5O4S2 and a molecular weight of 479.97 g/mol. Its IUPAC name is 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide
PubChem CID11283016
Molecular FormulaC19H18ClN5O4S2
Molecular Weight479.97 g/mol
Exact Mass479.05
IUPAC Name2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide
SMILESCCN(CC)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12
InChIInChI=1S/C19H18ClN5O4S2/c1-3-24(4-2)17(27)15(26)13-10-21-14-6-5-11(9-12(13)14)23-31(28,29)18-16(20)22-19-25(18)7-8-30-19/h5-10,21,23H,3-4H2,1-2H3
InChIKeySBBOTEUDTOUGQK-UHFFFAOYSA-N
XLogP3.38
TPSA116.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide?
The IUPAC name of 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide (CID 11283016) is 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide?
The canonical SMILES for 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide is CCN(CC)C(=O)C(=O)c1c[nH]c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc12.
What is the InChIKey of 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide?
The InChIKey is SBBOTEUDTOUGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O4S2/c1-3-24(4-2)17(27)15(26)13-10-21-14-6-5-11(9-12(13)14)23-31(28,29)18-16(20)22-19-25(18)7-8-30-19/h5-10,21,23H,3-4H2,1-2H3.
What are the key properties of 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide?
2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide has a molecular weight of 479.97 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide is sourced from PubChem (CID 11283016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).