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

C14H14F3N5O3S — CID 87264301

IUPACN-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
SMILESO=CN(O)C[C@H](Cc1cccs1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)11-3-4-18-13(19-11)21-20-12(24)9(7-22(25)8-23)6-10-2-1-5-26-10/h1-5,8-9,25H,6-7H2,(H,20,24)(H,18,19,21)/t9-/m0/s1
InChIKeyDYWMPUFNTHXSBP-VIFPVBQESA-N
MW389.36 g/mol
LogP1.71
Rot. Bonds8

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

N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide (PubChem CID 87264301) has the molecular formula C14H14F3N5O3S and a molecular weight of 389.36 g/mol. Its IUPAC name is N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
PubChem CID87264301
Molecular FormulaC14H14F3N5O3S
Molecular Weight389.36 g/mol
Exact Mass389.08
IUPAC NameN-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
SMILESO=CN(O)C[C@H](Cc1cccs1)C(=O)NNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)11-3-4-18-13(19-11)21-20-12(24)9(7-22(25)8-23)6-10-2-1-5-26-10/h1-5,8-9,25H,6-7H2,(H,20,24)(H,18,19,21)/t9-/m0/s1
InChIKeyDYWMPUFNTHXSBP-VIFPVBQESA-N
XLogP1.71
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.71
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-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]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-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
The IUPAC name of N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide (CID 87264301) is N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide is O=CN(O)C[C@H](Cc1cccs1)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
The InChIKey is DYWMPUFNTHXSBP-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14F3N5O3S/c15-14(16,17)11-3-4-18-13(19-11)21-20-12(24)9(7-22(25)8-23)6-10-2-1-5-26-10/h1-5,8-9,25H,6-7H2,(H,20,24)(H,18,19,21)/t9-/m0/s1.
What are the key properties of N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide has a molecular weight of 389.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide is sourced from PubChem (CID 87264301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).