N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C10H16N4O2S2 — CID 62149826

IUPACN-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H16N4O2S2/c1-10(2,3)13-18(15,16)8-7(11-4)12-9-14(8)5-6-17-9/h5-6,11,13H,1-4H3
InChIKeyPALAFARQXAYNOG-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.51
Rot. Bonds3

About N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62149826) has the molecular formula C10H16N4O2S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62149826
Molecular FormulaC10H16N4O2S2
Molecular Weight288.40 g/mol
Exact Mass288.07
IUPAC NameN-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C10H16N4O2S2/c1-10(2,3)13-18(15,16)8-7(11-4)12-9-14(8)5-6-17-9/h5-6,11,13H,1-4H3
InChIKeyPALAFARQXAYNOG-UHFFFAOYSA-N
XLogP1.51
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62149826) is N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is PALAFARQXAYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S2/c1-10(2,3)13-18(15,16)8-7(11-4)12-9-14(8)5-6-17-9/h5-6,11,13H,1-4H3.
What are the key properties of N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 288.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62149826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).