N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide

C14H14F3N5O3S — CID 87694598

IUPACN-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide
SMILESNN(C(=O)[C@H](Cc1cccs1)CN(O)C=O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)11-3-4-19-13(20-11)22(18)12(24)9(7-21(25)8-23)6-10-2-1-5-26-10/h1-5,8-9,25H,6-7,18H2/t9-/m1/s1
InChIKeyFIAHHVQBSWXAJS-SECBINFHSA-N
MW389.36 g/mol
LogP1.47
Rot. Bonds7

About N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide

N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide (PubChem CID 87694598) has the molecular formula C14H14F3N5O3S and a molecular weight of 389.36 g/mol. Its IUPAC name is N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide
PubChem CID87694598
Molecular FormulaC14H14F3N5O3S
Molecular Weight389.36 g/mol
Exact Mass389.08
IUPAC NameN-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide
SMILESNN(C(=O)[C@H](Cc1cccs1)CN(O)C=O)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N5O3S/c15-14(16,17)11-3-4-19-13(20-11)22(18)12(24)9(7-21(25)8-23)6-10-2-1-5-26-10/h1-5,8-9,25H,6-7,18H2/t9-/m1/s1
InChIKeyFIAHHVQBSWXAJS-SECBINFHSA-N
XLogP1.47
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide with MolForge

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

Launch Full Analysis

Related Compounds

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-hydroxy-N-[3-oxo-2-(thiophen-2-ylmethyl)-3-[2-[4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]propyl]formamide
CID 90893638
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
N-hydroxy-N-[3-[2-(4-methylpyrimidin-2-yl)hydrazinyl]-3-oxo-2-(thiophen-2-ylmethyl)propyl]formamide
CID 91493506

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide (CID 87694598) is N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide is NN(C(=O)[C@H](Cc1cccs1)CN(O)C=O)c1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide?
The InChIKey is FIAHHVQBSWXAJS-SECBINFHSA-N. The full InChI is InChI=1S/C14H14F3N5O3S/c15-14(16,17)11-3-4-19-13(20-11)22(18)12(24)9(7-21(25)8-23)6-10-2-1-5-26-10/h1-5,8-9,25H,6-7,18H2/t9-/m1/s1.
What are the key properties of N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide?
N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide has a molecular weight of 389.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-[amino-[4-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-2-(thiophen-2-ylmethyl)propyl]-N-hydroxyformamide is sourced from PubChem (CID 87694598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).