N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C12H21N5O2S2 — CID 62158615

IUPACN-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCCN(C)C
InChIInChI=1S/C12H21N5O2S2/c1-13-10-11(17-8-9-20-12(17)15-10)21(18,19)14-6-4-5-7-16(2)3/h8-9,13-14H,4-7H2,1-3H3
InChIKeyLHJXNINJMYCYFN-UHFFFAOYSA-N
MW331.47 g/mol
LogP1.06
Rot. Bonds8

About N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide

N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 62158615) has the molecular formula C12H21N5O2S2 and a molecular weight of 331.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID62158615
Molecular FormulaC12H21N5O2S2
Molecular Weight331.47 g/mol
Exact Mass331.11
IUPAC NameN-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCCN(C)C
InChIInChI=1S/C12H21N5O2S2/c1-13-10-11(17-8-9-20-12(17)15-10)21(18,19)14-6-4-5-7-16(2)3/h8-9,13-14H,4-7H2,1-3H3
InChIKeyLHJXNINJMYCYFN-UHFFFAOYSA-N
XLogP1.06
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 62158615) is N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is CNc1nc2sccn2c1S(=O)(=O)NCCCCN(C)C.
What is the InChIKey of N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is LHJXNINJMYCYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S2/c1-13-10-11(17-8-9-20-12(17)15-10)21(18,19)14-6-4-5-7-16(2)3/h8-9,13-14H,4-7H2,1-3H3.
What are the key properties of N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 331.47 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-6-(methylamino)imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 62158615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).