2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide

C17H16N4O3S — CID 51205140

IUPAC2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)c(C)o1
InChIInChI=1S/C17H16N4O3S/c1-10-6-14(11(2)24-10)16(23)21-20-15(22)7-13-9-25-17(19-13)12-4-3-5-18-8-12/h3-6,8-9H,7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVFSQQEXMKGGGOX-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.42
Rot. Bonds4

About 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide (PubChem CID 51205140) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide
PubChem CID51205140
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)c(C)o1
InChIInChI=1S/C17H16N4O3S/c1-10-6-14(11(2)24-10)16(23)21-20-15(22)7-13-9-25-17(19-13)12-4-3-5-18-8-12/h3-6,8-9H,7H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVFSQQEXMKGGGOX-UHFFFAOYSA-N
XLogP2.42
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide with MolForge

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Related Compounds

N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 31826746
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-[2-oxo-2-(propylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86911127
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
2,5-dimethyl-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]furan-3-carboxamide
CID 121122150
N-(4-bromo-2-methylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51205873
N,N-diethyl-4-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]butanamide
CID 60513365

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide (CID 51205140) is 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cc2csc(-c3cccnc3)n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide?
The InChIKey is VFSQQEXMKGGGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-10-6-14(11(2)24-10)16(23)21-20-15(22)7-13-9-25-17(19-13)12-4-3-5-18-8-12/h3-6,8-9H,7H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide has a molecular weight of 356.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 51205140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).