N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide

C15H18N4O3S2 — CID 113043476

IUPACN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cccs2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c1-2-19(11-7-9-24(21,22)10-11)14-6-5-13(17-18-14)16-15(20)12-4-3-8-23-12/h3-6,8,11H,2,7,9-10H2,1H3,(H,16,17,20)
InChIKeyPONKZCDMQFYSFB-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.80
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide

N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide (PubChem CID 113043476) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
PubChem CID113043476
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide
SMILESCCN(c1ccc(NC(=O)c2cccs2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N4O3S2/c1-2-19(11-7-9-24(21,22)10-11)14-6-5-13(17-18-14)16-15(20)12-4-3-8-23-12/h3-6,8,11H,2,7,9-10H2,1H3,(H,16,17,20)
InChIKeyPONKZCDMQFYSFB-UHFFFAOYSA-N
XLogP1.80
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113043499
N-[6-(dipropylamino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113045135
N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123686
N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123676
2-chloro-N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]benzamide
CID 113029205
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119315
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-2-methoxybenzamide
CID 113043003
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 7808018
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109123679
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
CID 113028610
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113043019
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide (CID 113043476) is N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide is CCN(c1ccc(NC(=O)c2cccs2)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide?
The InChIKey is PONKZCDMQFYSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-2-19(11-7-9-24(21,22)10-11)14-6-5-13(17-18-14)16-15(20)12-4-3-8-23-12/h3-6,8,11H,2,7,9-10H2,1H3,(H,16,17,20).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide?
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 113043476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).