4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide

C10H15N5O3S2 — CID 62148100

IUPAC4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C10H15N5O3S2/c1-12-8-9(15-5-6-19-10(15)14-8)20(17,18)13-4-2-3-7(11)16/h5-6,12-13H,2-4H2,1H3,(H2,11,16)
InChIKeyPUSXTEQGJPNBHO-UHFFFAOYSA-N
MW317.40 g/mol
LogP-0.02
Rot. Bonds7

About 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide

4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide (PubChem CID 62148100) has the molecular formula C10H15N5O3S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide
PubChem CID62148100
Molecular FormulaC10H15N5O3S2
Molecular Weight317.40 g/mol
Exact Mass317.06
IUPAC Name4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide
SMILESCNc1nc2sccn2c1S(=O)(=O)NCCCC(N)=O
InChIInChI=1S/C10H15N5O3S2/c1-12-8-9(15-5-6-19-10(15)14-8)20(17,18)13-4-2-3-7(11)16/h5-6,12-13H,2-4H2,1H3,(H2,11,16)
InChIKeyPUSXTEQGJPNBHO-UHFFFAOYSA-N
XLogP-0.02
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide?
The IUPAC name of 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide (CID 62148100) is 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide.
What is the SMILES notation for 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide?
The canonical SMILES for 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide is CNc1nc2sccn2c1S(=O)(=O)NCCCC(N)=O.
What is the InChIKey of 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide?
The InChIKey is PUSXTEQGJPNBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S2/c1-12-8-9(15-5-6-19-10(15)14-8)20(17,18)13-4-2-3-7(11)16/h5-6,12-13H,2-4H2,1H3,(H2,11,16).
What are the key properties of 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide?
4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide has a molecular weight of 317.40 g/mol, XLogP of -0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(methylamino)imidazo[2,1-b][1,3]thiazol-5-yl]sulfonylamino]butanamide is sourced from PubChem (CID 62148100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).