N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide

C13H16N4O2S2 — CID 62152569

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)ccn1
InChIInChI=1S/C13H16N4O2S2/c1-2-14-12-8-9(6-7-15-12)21(18,19)17-13-16-10-4-3-5-11(10)20-13/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZXSGXZVIDDAUEY-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.26
Rot. Bonds5

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide (PubChem CID 62152569) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
PubChem CID62152569
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)ccn1
InChIInChI=1S/C13H16N4O2S2/c1-2-14-12-8-9(6-7-15-12)21(18,19)17-13-16-10-4-3-5-11(10)20-13/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyZXSGXZVIDDAUEY-UHFFFAOYSA-N
XLogP2.26
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide (CID 62152569) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3)ccn1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The InChIKey is ZXSGXZVIDDAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-2-14-12-8-9(6-7-15-12)21(18,19)17-13-16-10-4-3-5-11(10)20-13/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(ethylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62152569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).