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

C18H20N4OS — CID 46227521

IUPAC[4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol
SMILESCC(C)(C)c1cc2c(N/N=C/c3ccc(CO)cc3)ncnc2s1
InChIInChI=1S/C18H20N4OS/c1-18(2,3)15-8-14-16(19-11-20-17(14)24-15)22-21-9-12-4-6-13(10-23)7-5-12/h4-9,11,23H,10H2,1-3H3,(H,19,20,22)/b21-9+
InChIKeyCSIPHQMKJUSVAT-ZVBGSRNCSA-N
MW340.45 g/mol
LogP3.93
Rot. Bonds4

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

[4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol (PubChem CID 46227521) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol
PubChem CID46227521
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name[4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol
SMILESCC(C)(C)c1cc2c(N/N=C/c3ccc(CO)cc3)ncnc2s1
InChIInChI=1S/C18H20N4OS/c1-18(2,3)15-8-14-16(19-11-20-17(14)24-15)22-21-9-12-4-6-13(10-23)7-5-12/h4-9,11,23H,10H2,1-3H3,(H,19,20,22)/b21-9+
InChIKeyCSIPHQMKJUSVAT-ZVBGSRNCSA-N
XLogP3.93
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol?
The IUPAC name of [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol (CID 46227521) is [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol.
What is the SMILES notation for [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol?
The canonical SMILES for [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol is CC(C)(C)c1cc2c(N/N=C/c3ccc(CO)cc3)ncnc2s1.
What is the InChIKey of [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol?
The InChIKey is CSIPHQMKJUSVAT-ZVBGSRNCSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-18(2,3)15-8-14-16(19-11-20-17(14)24-15)22-21-9-12-4-6-13(10-23)7-5-12/h4-9,11,23H,10H2,1-3H3,(H,19,20,22)/b21-9+.
What are the key properties of [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol?
[4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol has a molecular weight of 340.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-[(6-tert-butylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenyl]methanol is sourced from PubChem (CID 46227521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).