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

C14H14F3N5O3S — CID 90893638

IUPACN-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
SMILESO=CN(O)CC(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)
InChIKeyDYWMPUFNTHXSBP-UHFFFAOYSA-N
MW389.36 g/mol
LogP1.71
Rot. Bonds8

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

N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide (PubChem CID 90893638) has the molecular formula C14H14F3N5O3S and a molecular weight of 389.36 g/mol. Its IUPAC name is N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
PubChem CID90893638
Molecular FormulaC14H14F3N5O3S
Molecular Weight389.36 g/mol
Exact Mass389.08
IUPAC NameN-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
SMILESO=CN(O)CC(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)
InChIKeyDYWMPUFNTHXSBP-UHFFFAOYSA-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'}

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Related Compounds

N'-[4-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-carbohydrazide
CID 9879019
N-hydroxy-N-[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 87264297
N-hydroxy-N-[(2S)-3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 87264301
N-hydroxy-N-[(2R)-4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
CID 87264502
N-hydroxy-N-[(2S)-4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
CID 87264504
N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide
CID 87694598
N-hydroxy-N-[4-thiophen-2-yl-2-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]carbamoyl]butyl]formamide
CID 91240134
N-hydroxy-N-[(2R)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide
CID 87264268
N-hydroxy-N-[(2S)-2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide
CID 87264274
N-hydroxy-N-[(2R)-3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
CID 87264490
N-hydroxy-N-[(2S)-3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
CID 87264492
N-hydroxy-N-[2-[[(4-methylpyrimidin-2-yl)amino]carbamoyl]-4-thiophen-2-ylbutyl]formamide
CID 87264749

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
The IUPAC name of N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide (CID 90893638) is N-hydroxy-N-[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-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
The canonical SMILES for N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide is O=CN(O)CC(Cc1cccs1)C(=O)NNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
The InChIKey is DYWMPUFNTHXSBP-UHFFFAOYSA-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).
What are the key properties of N-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide?
N-hydroxy-N-[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-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide is sourced from PubChem (CID 90893638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).