6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide

C15H21N3O3S2 — CID 118970949

IUPAC6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCC(C)(C)C1CCc2c(sc3nc(C(=O)NS(C)(=O)=O)cn23)C1
InChIInChI=1S/C15H21N3O3S2/c1-15(2,3)9-5-6-11-12(7-9)22-14-16-10(8-18(11)14)13(19)17-23(4,20)21/h8-9H,5-7H2,1-4H3,(H,17,19)
InChIKeyODCSVYIXOAVZEV-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.24
Rot. Bonds2

About 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide

6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (PubChem CID 118970949) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
PubChem CID118970949
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC Name6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide
SMILESCC(C)(C)C1CCc2c(sc3nc(C(=O)NS(C)(=O)=O)cn23)C1
InChIInChI=1S/C15H21N3O3S2/c1-15(2,3)9-5-6-11-12(7-9)22-14-16-10(8-18(11)14)13(19)17-23(4,20)21/h8-9H,5-7H2,1-4H3,(H,17,19)
InChIKeyODCSVYIXOAVZEV-UHFFFAOYSA-N
XLogP2.24
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The IUPAC name of 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide (CID 118970949) is 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The canonical SMILES for 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is CC(C)(C)C1CCc2c(sc3nc(C(=O)NS(C)(=O)=O)cn23)C1.
What is the InChIKey of 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
The InChIKey is ODCSVYIXOAVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-15(2,3)9-5-6-11-12(7-9)22-14-16-10(8-18(11)14)13(19)17-23(4,20)21/h8-9H,5-7H2,1-4H3,(H,17,19).
What are the key properties of 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide?
6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methylsulfonyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-2-carboxamide is sourced from PubChem (CID 118970949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).