N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride

C15H19ClN4O2S — CID 70393396

IUPACN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)C2NCCS2)cc1.Cl
InChIInChI=1S/C15H18N4O2S.ClH/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14(21)15-16-6-7-22-15;/h2-5,9,15-16H,6-8H2,1H3,(H,17,21)(H,18,20);1H
InChIKeyNEUGPTOWQHCDGC-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.57
Rot. Bonds3

About N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride

N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride (PubChem CID 70393396) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride
PubChem CID70393396
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC NameN-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)C2NCCS2)cc1.Cl
InChIInChI=1S/C15H18N4O2S.ClH/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14(21)15-16-6-7-22-15;/h2-5,9,15-16H,6-8H2,1H3,(H,17,21)(H,18,20);1H
InChIKeyNEUGPTOWQHCDGC-UHFFFAOYSA-N
XLogP1.57
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,5-dioxo-1,4-thiazinane-3-carboxamide
CID 21249132
2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 12807338
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 13193381
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
S-(4-fluorophenyl) N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamothioate
CID 54307860
2,3-dimethyl-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4-oxopentanethioamide
CID 88654008
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]furan-2-carboxamide
CID 13228917
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
(4R)-4-amino-5-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-5-oxopentanoic acid
CID 70374887

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride (CID 70393396) is N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride is CC1CC(=O)NN=C1c1ccc(NC(=O)C2NCCS2)cc1.Cl.
What is the InChIKey of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride?
The InChIKey is NEUGPTOWQHCDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S.ClH/c1-9-8-12(20)18-19-13(9)10-2-4-11(5-3-10)17-14(21)15-16-6-7-22-15;/h2-5,9,15-16H,6-8H2,1H3,(H,17,21)(H,18,20);1H.
What are the key properties of N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride?
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride has a molecular weight of 354.86 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-1,3-thiazolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 70393396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).