N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C11H12N4O2S3 — CID 167918868

IUPACN-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cnc3sccn23)n1
InChIInChI=1S/C11H12N4O2S3/c1-7(2)8-6-19-10(13-8)14-20(16,17)9-5-12-11-15(9)3-4-18-11/h3-7H,1-2H3,(H,13,14)
InChIKeyDGDVMCNCHKLXFY-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.78
Rot. Bonds4

About N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 167918868) has the molecular formula C11H12N4O2S3 and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID167918868
Molecular FormulaC11H12N4O2S3
Molecular Weight328.44 g/mol
Exact Mass328.01
IUPAC NameN-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCC(C)c1csc(NS(=O)(=O)c2cnc3sccn23)n1
InChIInChI=1S/C11H12N4O2S3/c1-7(2)8-6-19-10(13-8)14-20(16,17)9-5-12-11-15(9)3-4-18-11/h3-7H,1-2H3,(H,13,14)
InChIKeyDGDVMCNCHKLXFY-UHFFFAOYSA-N
XLogP2.78
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 167918868) is N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CC(C)c1csc(NS(=O)(=O)c2cnc3sccn23)n1.
What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DGDVMCNCHKLXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S3/c1-7(2)8-6-19-10(13-8)14-20(16,17)9-5-12-11-15(9)3-4-18-11/h3-7H,1-2H3,(H,13,14).
What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 167918868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).