N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide

C14H17N5O3S — CID 91493506

IUPACN-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
SMILESCc1ccnc(NNC(=O)C(Cc2cccs2)CN(O)C=O)n1
InChIInChI=1S/C14H17N5O3S/c1-10-4-5-15-14(16-10)18-17-13(21)11(8-19(22)9-20)7-12-3-2-6-23-12/h2-6,9,11,22H,7-8H2,1H3,(H,17,21)(H,15,16,18)
InChIKeyOOFNFXWMDSCBBT-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.00
Rot. Bonds8

About N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide

N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide (PubChem CID 91493506) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
PubChem CID91493506
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
SMILESCc1ccnc(NNC(=O)C(Cc2cccs2)CN(O)C=O)n1
InChIInChI=1S/C14H17N5O3S/c1-10-4-5-15-14(16-10)18-17-13(21)11(8-19(22)9-20)7-12-3-2-6-23-12/h2-6,9,11,22H,7-8H2,1H3,(H,17,21)(H,15,16,18)
InChIKeyOOFNFXWMDSCBBT-UHFFFAOYSA-N
XLogP1.00
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide?
The IUPAC name of N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide (CID 91493506) is N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide.
What is the SMILES notation for N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide?
The canonical SMILES for N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide is Cc1ccnc(NNC(=O)C(Cc2cccs2)CN(O)C=O)n1.
What is the InChIKey of N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide?
The InChIKey is OOFNFXWMDSCBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-10-4-5-15-14(16-10)18-17-13(21)11(8-19(22)9-20)7-12-3-2-6-23-12/h2-6,9,11,22H,7-8H2,1H3,(H,17,21)(H,15,16,18).
What are the key properties of N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide?
N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide has a molecular weight of 335.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide is sourced from PubChem (CID 91493506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).