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

C12H11IN4O2S2 — CID 62144082

IUPACN-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H11IN4O2S2/c1-14-10-11(17-6-7-20-12(17)15-10)21(18,19)16-9-5-3-2-4-8(9)13/h2-7,14,16H,1H3
InChIKeySQMKVXRLCDHYOU-UHFFFAOYSA-N
MW434.28 g/mol
LogP2.84
Rot. Bonds4

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

N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62144082) has the molecular formula C12H11IN4O2S2 and a molecular weight of 434.28 g/mol. Its IUPAC name is N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62144082
Molecular FormulaC12H11IN4O2S2
Molecular Weight434.28 g/mol
Exact Mass433.94
IUPAC NameN-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)Nc1ccccc1I
InChIInChI=1S/C12H11IN4O2S2/c1-14-10-11(17-6-7-20-12(17)15-10)21(18,19)16-9-5-3-2-4-8(9)13/h2-7,14,16H,1H3
InChIKeySQMKVXRLCDHYOU-UHFFFAOYSA-N
XLogP2.84
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-N-(2-methylpyrazol-3-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158096
N-tert-butyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149826
6-(methylamino)-N-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62147730
6-(methylamino)-N-(1H-pyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62145548
6-chloro-N-(2-hydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103739497
N,N-dimethyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62149455
6-(methylamino)-N-pentylimidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62162817
N-cyclobutyl-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62415032
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
6-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 63962711
N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 62158615

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62144082) is N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is SQMKVXRLCDHYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN4O2S2/c1-14-10-11(17-6-7-20-12(17)15-10)21(18,19)16-9-5-3-2-4-8(9)13/h2-7,14,16H,1H3.
What are the key properties of N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 434.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62144082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).