N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

C14H12ClN3O2S — CID 31692872

IUPACN-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H12ClN3O2S/c15-8-1-3-12-9(7-8)10(5-6-21-12)16-14(20)11-2-4-13(19)18-17-11/h1-4,7,10H,5-6H2,(H,16,20)(H,18,19)/t10-/m0/s1
InChIKeyVGABWHHBLOILAE-JTQLQIEISA-N
MW321.79 g/mol
LogP2.39
Rot. Bonds2

About N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 31692872) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID31692872
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H12ClN3O2S/c15-8-1-3-12-9(7-8)10(5-6-21-12)16-14(20)11-2-4-13(19)18-17-11/h1-4,7,10H,5-6H2,(H,16,20)(H,18,19)/t10-/m0/s1
InChIKeyVGABWHHBLOILAE-JTQLQIEISA-N
XLogP2.39
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 75444696
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CID 17479306
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960
4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 60697768
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CID 46656428
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CID 43709277
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
5-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)furan-2-carboxamide
CID 60697597
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)adamantane-1-carboxamide
CID 18120449
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidine-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 31692872) is N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VGABWHHBLOILAE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c15-8-1-3-12-9(7-8)10(5-6-21-12)16-14(20)11-2-4-13(19)18-17-11/h1-4,7,10H,5-6H2,(H,16,20)(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 321.79 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 31692872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).