4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide

C19H17N5O3S2 — CID 6218436

IUPAC4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
SMILESCc1sc2ncnc(N/N=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)c2c1C
InChIInChI=1S/C19H17N5O3S2/c1-11-12(2)28-19-17(11)18(21-10-22-19)24-23-9-14-5-8-16(27-14)13-3-6-15(7-4-13)29(20,25)26/h3-10H,1-2H3,(H2,20,25,26)(H,21,22,24)/b23-9-
InChIKeyOHIMBHMHIBYWEK-AQHIEDMUSA-N
MW427.51 g/mol
LogP3.66
Rot. Bonds5

About 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide

4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide (PubChem CID 6218436) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
PubChem CID6218436
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC Name4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
SMILESCc1sc2ncnc(N/N=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)c2c1C
InChIInChI=1S/C19H17N5O3S2/c1-11-12(2)28-19-17(11)18(21-10-22-19)24-23-9-14-5-8-16(27-14)13-3-6-15(7-4-13)29(20,25)26/h3-10H,1-2H3,(H2,20,25,26)(H,21,22,24)/b23-9-
InChIKeyOHIMBHMHIBYWEK-AQHIEDMUSA-N
XLogP3.66
TPSA123.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_F(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
N-(furan-2-ylmethylideneamino)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 3124056
N-[4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 6272660
N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5193732
4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzonitrile
CID 6218625
methyl 4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 50883870
methyl 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 6292670
N-[(4-ethoxyphenyl)methylideneamino]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4848657
1-[(E)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135532991
4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-2-nitrophenolate
CID 7452229
4-[(Z)-N-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-C-methylcarbonimidoyl]-N-propylbenzenesulfonamide
CID 9409163
2-[2-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 7612956

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide (CID 6218436) is 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide is Cc1sc2ncnc(N/N=C\c3ccc(-c4ccc(S(N)(=O)=O)cc4)o3)c2c1C.
What is the InChIKey of 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
The InChIKey is OHIMBHMHIBYWEK-AQHIEDMUSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c1-11-12(2)28-19-17(11)18(21-10-22-19)24-23-9-14-5-8-16(27-14)13-3-6-15(7-4-13)29(20,25)26/h3-10H,1-2H3,(H2,20,25,26)(H,21,22,24)/b23-9-.
What are the key properties of 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide?
4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide has a molecular weight of 427.51 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide is sourced from PubChem (CID 6218436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).