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

C10H16N4O2S3 — CID 63962711

IUPAC6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCSC
InChIInChI=1S/C10H16N4O2S3/c1-11-8-9(14-5-7-18-10(14)13-8)19(15,16)12-4-3-6-17-2/h5,7,11-12H,3-4,6H2,1-2H3
InChIKeyDCHJZAUGSJRFJT-UHFFFAOYSA-N
MW320.47 g/mol
LogP1.47
Rot. Bonds7

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

6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 63962711) has the molecular formula C10H16N4O2S3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID63962711
Molecular FormulaC10H16N4O2S3
Molecular Weight320.47 g/mol
Exact Mass320.04
IUPAC Name6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCSC
InChIInChI=1S/C10H16N4O2S3/c1-11-8-9(14-5-7-18-10(14)13-8)19(15,16)12-4-3-6-17-2/h5,7,11-12H,3-4,6H2,1-2H3
InChIKeyDCHJZAUGSJRFJT-UHFFFAOYSA-N
XLogP1.47
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62162817
4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide
CID 62148100
N-(3-methoxypropyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 55044056
N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158615
6-(methylamino)-N-(4,4,4-trifluorobutyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 115522035
6-(methylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63244794
N-(2-cyclopentylethyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62146518
2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63961435
N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149826
6-(methylamino)-N-(2H-tetrazol-5-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62157906
6-(methylamino)-N-(thiolan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 80586000
N,N-dimethyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149455

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 63962711) is 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCCCSC.
What is the InChIKey of 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is DCHJZAUGSJRFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S3/c1-11-8-9(14-5-7-18-10(14)13-8)19(15,16)12-4-3-6-17-2/h5,7,11-12H,3-4,6H2,1-2H3.
What are the key properties of 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 320.47 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 63962711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).