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

C17H27N5O2S2 — CID 20647089

IUPAC2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole
SMILESCCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H27N5O2S2/c1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21)
InChIKeyGVWURXDSEAKHSQ-UHFFFAOYSA-N
MW397.57 g/mol
LogP2.96
Rot. Bonds12

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

2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole (PubChem CID 20647089) has the molecular formula C17H27N5O2S2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole
PubChem CID20647089
Molecular FormulaC17H27N5O2S2
Molecular Weight397.57 g/mol
Exact Mass397.16
IUPAC Name2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole
SMILESCCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H27N5O2S2/c1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21)
InChIKeyGVWURXDSEAKHSQ-UHFFFAOYSA-N
XLogP2.96
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 52.96
H-Bond Donors ≤ 52
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 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole (CID 20647089) is 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole is CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1.
What is the InChIKey of 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole?
The InChIKey is GVWURXDSEAKHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2S2/c1-3-22(4-2)26(23,24)20-13-8-5-7-12-19-17-21-16(14-25-17)15-10-6-9-11-18-15/h6,9-11,14,20H,3-5,7-8,12-13H2,1-2H3,(H,19,21).
What are the key properties of 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole?
2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole has a molecular weight of 397.57 g/mol, XLogP of 2.96, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylsulfamoylamino)pentylamino]-4-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 20647089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).