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

C18H20N4OS — CID 2809068

IUPACN'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3cc(C(C)(C)C)sc23)cc1
InChIInChI=1S/C18H20N4OS/c1-11-5-7-12(8-6-11)17(23)22-21-16-15-13(19-10-20-16)9-14(24-15)18(2,3)4/h5-10H,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyQWNJWSWNAFNPIN-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.05
Rot. Bonds3

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

N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide (PubChem CID 2809068) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide
PubChem CID2809068
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3cc(C(C)(C)C)sc23)cc1
InChIInChI=1S/C18H20N4OS/c1-11-5-7-12(8-6-11)17(23)22-21-16-15-13(19-10-20-16)9-14(24-15)18(2,3)4/h5-10H,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyQWNJWSWNAFNPIN-UHFFFAOYSA-N
XLogP4.05
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.05
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-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide?
The IUPAC name of N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide (CID 2809068) is N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide.
What is the SMILES notation for N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide?
The canonical SMILES for N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide is Cc1ccc(C(=O)NNc2ncnc3cc(C(C)(C)C)sc23)cc1.
What is the InChIKey of N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide?
The InChIKey is QWNJWSWNAFNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-5-7-12(8-6-11)17(23)22-21-16-15-13(19-10-20-16)9-14(24-15)18(2,3)4/h5-10H,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide?
N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide has a molecular weight of 340.45 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)-4-methylbenzohydrazide is sourced from PubChem (CID 2809068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).