2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide

C22H20N4O4S — CID 46578396

IUPAC2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)sc2n1
InChIInChI=1S/C22H20N4O4S/c1-12-18-13(2)23-14(3)24-22(18)31-19(12)21(28)26-25-20(27)17-10-9-16(30-17)11-29-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUPMDERAVDRCLHY-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.86
Rot. Bonds5

About 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide

2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 46578396) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID46578396
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)sc2n1
InChIInChI=1S/C22H20N4O4S/c1-12-18-13(2)23-14(3)24-22(18)31-19(12)21(28)26-25-20(27)17-10-9-16(30-17)11-29-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyUPMDERAVDRCLHY-UHFFFAOYSA-N
XLogP3.86
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(phenoxymethyl)furan-2-carboxamide
CID 7678218
N'-(4-methylbenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 7979169
N'-(2-methoxyacetyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 31466053
N'-(2-fluorobenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 4795196
N-[[2-(methoxymethyl)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 32606435
N'-[2-(2-methylphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 18204877
N-(2-benzylsulfanylethyl)-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43044020
N'-[2-(4-chlorophenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 9219836
N'-[5-(phenoxymethyl)furan-2-carbonyl]quinoline-2-carbohydrazide
CID 9219810
N'-[2-(4-hydroxyphenyl)acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide
CID 78822023
N-[2-(4-chlorophenoxy)ethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 33282949
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 43057186

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide (CID 46578396) is 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide is Cc1nc(C)c2c(C)c(C(=O)NNC(=O)c3ccc(COc4ccccc4)o3)sc2n1.
What is the InChIKey of 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is UPMDERAVDRCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c1-12-18-13(2)23-14(3)24-22(18)31-19(12)21(28)26-25-20(27)17-10-9-16(30-17)11-29-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 436.49 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 46578396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).