4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole

C13H19N5O2S2 — CID 20647090

IUPAC4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole
SMILESNS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H19N5O2S2/c14-22(19,20)17-9-4-1-3-8-16-13-18-12(10-21-13)11-6-2-5-7-15-11/h2,5-7,10,17H,1,3-4,8-9H2,(H,16,18)(H2,14,19,20)
InChIKeyMVIHVFVEMJXOIS-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.58
Rot. Bonds9

About 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole

4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole (PubChem CID 20647090) has the molecular formula C13H19N5O2S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole
PubChem CID20647090
Molecular FormulaC13H19N5O2S2
Molecular Weight341.46 g/mol
Exact Mass341.10
IUPAC Name4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole
SMILESNS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C13H19N5O2S2/c14-22(19,20)17-9-4-1-3-8-16-13-18-12(10-21-13)11-6-2-5-7-15-11/h2,5-7,10,17H,1,3-4,8-9H2,(H,16,18)(H2,14,19,20)
InChIKeyMVIHVFVEMJXOIS-UHFFFAOYSA-N
XLogP1.58
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole?
The IUPAC name of 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole (CID 20647090) is 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole.
What is the SMILES notation for 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole?
The canonical SMILES for 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole is NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.
What is the InChIKey of 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole?
The InChIKey is MVIHVFVEMJXOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S2/c14-22(19,20)17-9-4-1-3-8-16-13-18-12(10-21-13)11-6-2-5-7-15-11/h2,5-7,10,17H,1,3-4,8-9H2,(H,16,18)(H2,14,19,20).
What are the key properties of 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole?
4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole has a molecular weight of 341.46 g/mol, XLogP of 1.58, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-[5-(sulfamoylamino)pentylamino]-1,3-thiazole is sourced from PubChem (CID 20647090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).