N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

C20H15BrN4O3S — CID 24628326

IUPACN'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c12
InChIInChI=1S/C20H15BrN4O3S/c1-10-15-11(2)22-17(14-4-3-9-28-14)23-20(15)29-16(10)19(27)25-24-18(26)12-5-7-13(21)8-6-12/h3-9H,1-2H3,(H,24,26)(H,25,27)
InChIKeyOSRWDSODJCNOFW-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.41
Rot. Bonds3

About N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide

N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 24628326) has the molecular formula C20H15BrN4O3S and a molecular weight of 471.34 g/mol. Its IUPAC name is N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID24628326
Molecular FormulaC20H15BrN4O3S
Molecular Weight471.34 g/mol
Exact Mass470.00
IUPAC NameN'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(-c2ccco2)nc2sc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c12
InChIInChI=1S/C20H15BrN4O3S/c1-10-15-11(2)22-17(14-4-3-9-28-14)23-20(15)29-16(10)19(27)25-24-18(26)12-5-7-13(21)8-6-12/h3-9H,1-2H3,(H,24,26)(H,25,27)
InChIKeyOSRWDSODJCNOFW-UHFFFAOYSA-N
XLogP4.41
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide (CID 24628326) is N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is Cc1nc(-c2ccco2)nc2sc(C(=O)NNC(=O)c3ccc(Br)cc3)c(C)c12.
What is the InChIKey of N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is OSRWDSODJCNOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3S/c1-10-15-11(2)22-17(14-4-3-9-28-14)23-20(15)29-16(10)19(27)25-24-18(26)12-5-7-13(21)8-6-12/h3-9H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide?
N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 471.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromobenzoyl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 24628326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).