6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole

C13H14N4O2S2 — CID 7151340

IUPAC6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESCN(C)S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C13H14N4O2S2/c1-16(2)21(18,19)15-11-5-3-10(4-6-11)12-9-17-7-8-20-13(17)14-12/h3-9,15H,1-2H3
InChIKeyNZBVKJCMAJMRPU-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.28
Rot. Bonds4

About 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole

6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 7151340) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID7151340
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESCN(C)S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C13H14N4O2S2/c1-16(2)21(18,19)15-11-5-3-10(4-6-11)12-9-17-7-8-20-13(17)14-12/h3-9,15H,1-2H3
InChIKeyNZBVKJCMAJMRPU-UHFFFAOYSA-N
XLogP2.28
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole (CID 7151340) is 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole is CN(C)S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NZBVKJCMAJMRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-16(2)21(18,19)15-11-5-3-10(4-6-11)12-9-17-7-8-20-13(17)14-12/h3-9,15H,1-2H3.
What are the key properties of 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole?
6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 322.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylsulfamoylamino)phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 7151340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).