N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide

C24H24N4OS — CID 2809030

IUPACN'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3cc(-c4ccc(C(C)(C)C)cc4)sc23)cc1
InChIInChI=1S/C24H24N4OS/c1-15-5-7-17(8-6-15)23(29)28-27-22-21-19(25-14-26-22)13-20(30-21)16-9-11-18(12-10-16)24(2,3)4/h5-14H,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyGXZAGCVSUKJGLF-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.72
Rot. Bonds4

About N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide

N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide (PubChem CID 2809030) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide
PubChem CID2809030
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC NameN'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3cc(-c4ccc(C(C)(C)C)cc4)sc23)cc1
InChIInChI=1S/C24H24N4OS/c1-15-5-7-17(8-6-15)23(29)28-27-22-21-19(25-14-26-22)13-20(30-21)16-9-11-18(12-10-16)24(2,3)4/h5-14H,1-4H3,(H,28,29)(H,25,26,27)
InChIKeyGXZAGCVSUKJGLF-UHFFFAOYSA-N
XLogP5.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
The IUPAC name of N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide (CID 2809030) is N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNc2ncnc3cc(-c4ccc(C(C)(C)C)cc4)sc23)cc1.
What is the InChIKey of N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
The InChIKey is GXZAGCVSUKJGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-15-5-7-17(8-6-15)23(29)28-27-22-21-19(25-14-26-22)13-20(30-21)16-9-11-18(12-10-16)24(2,3)4/h5-14H,1-4H3,(H,28,29)(H,25,26,27).
What are the key properties of N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide?
N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide has a molecular weight of 416.55 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(4-tert-butylphenyl)thieno[3,2-d]pyrimidin-4-yl]-4-methylbenzohydrazide is sourced from PubChem (CID 2809030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).