methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate

C19H20N4O2S — CID 75178783

IUPACmethyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNc2ncnc3sc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C19H20N4O2S/c1-19(2,3)15-9-14-16(20-11-21-17(14)26-15)23-22-10-12-5-7-13(8-6-12)18(24)25-4/h5-11H,1-4H3,(H,20,21,23)
InChIKeyXFRFTPGVNSJELE-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.22
Rot. Bonds4

About methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate

methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate (PubChem CID 75178783) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
PubChem CID75178783
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Namemethyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNc2ncnc3sc(C(C)(C)C)cc23)cc1
InChIInChI=1S/C19H20N4O2S/c1-19(2,3)15-9-14-16(20-11-21-17(14)26-15)23-22-10-12-5-7-13(8-6-12)18(24)25-4/h5-11H,1-4H3,(H,20,21,23)
InChIKeyXFRFTPGVNSJELE-UHFFFAOYSA-N
XLogP4.22
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 46227453
methyl 4-[(Z)-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate
CID 6292670
2-[[4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methyl]isoindole-1,3-dione
CID 139987704
6-tert-butyl-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987613
[2-[4-[(2E)-2-[[4-[(dimethylamino)methyl]phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropyl] acetate
CID 142150558
methyl 4-[(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazinylidene)methyl]benzoate
CID 3856017
2-[4-[2-[[4-(aminomethyl)phenyl]methylidene]hydrazinyl]thieno[2,3-d]pyrimidin-6-yl]-2-methylpropan-1-ol
CID 139987623
6-tert-butyl-N-[(2-propan-2-yl-1,3-dihydroisoindol-5-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 75178763
6-tert-butyl-N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987573
N-[[6-(aminomethyl)-2-pyridinyl]methylideneamino]-6-tert-butylthieno[2,3-d]pyrimidin-4-amine
CID 75054373
6-tert-butyl-N-[[3-[2-(methylamino)ethoxy]-1,2-oxazol-5-yl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 139987682
methyl 4-[[(3,5,6-trichloro-2-pyridinyl)hydrazinylidene]methyl]benzoate
CID 4002344

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate (CID 75178783) is methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNc2ncnc3sc(C(C)(C)C)cc23)cc1.
What is the InChIKey of methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate?
The InChIKey is XFRFTPGVNSJELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-19(2,3)15-9-14-16(20-11-21-17(14)26-15)23-22-10-12-5-7-13(8-6-12)18(24)25-4/h5-11H,1-4H3,(H,20,21,23).
What are the key properties of methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate?
methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate has a molecular weight of 368.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 75178783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).