ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

C14H16N4O4S — CID 121465048

IUPACethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESC=C1CCC(C(=O)Nc2sccc2C(=O)NC(=O)OCC)=NN1
InChIInChI=1S/C14H16N4O4S/c1-3-22-14(21)16-11(19)9-6-7-23-13(9)15-12(20)10-5-4-8(2)17-18-10/h6-7,17H,2-5H2,1H3,(H,15,20)(H,16,19,21)
InChIKeyITPXKMSICPIOCJ-UHFFFAOYSA-N
MW336.37 g/mol
LogP1.83
Rot. Bonds4

About ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 121465048) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID121465048
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC Nameethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESC=C1CCC(C(=O)Nc2sccc2C(=O)NC(=O)OCC)=NN1
InChIInChI=1S/C14H16N4O4S/c1-3-22-14(21)16-11(19)9-6-7-23-13(9)15-12(20)10-5-4-8(2)17-18-10/h6-7,17H,2-5H2,1H3,(H,15,20)(H,16,19,21)
InChIKeyITPXKMSICPIOCJ-UHFFFAOYSA-N
XLogP1.83
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 121465048) is ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is C=C1CCC(C(=O)Nc2sccc2C(=O)NC(=O)OCC)=NN1.
What is the InChIKey of ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is ITPXKMSICPIOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-3-22-14(21)16-11(19)9-6-7-23-13(9)15-12(20)10-5-4-8(2)17-18-10/h6-7,17H,2-5H2,1H3,(H,15,20)(H,16,19,21).
What are the key properties of ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 336.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(6-methylidene-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 121465048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).