tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate

C13H19N3O3S — CID 71592935

IUPACtert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C13H19N3O3S/c1-9(15-12(18)19-13(2,3)4)11(17)16-14-8-10-6-5-7-20-10/h5-9H,1-4H3,(H,15,18)(H,16,17)/b14-8+
InChIKeyIVZYXKYHIAGHKM-RIYZIHGNSA-N
MW297.38 g/mol
LogP2.11
Rot. Bonds4

About tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate

tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate (PubChem CID 71592935) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
PubChem CID71592935
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Nametert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C13H19N3O3S/c1-9(15-12(18)19-13(2,3)4)11(17)16-14-8-10-6-5-7-20-10/h5-9H,1-4H3,(H,15,18)(H,16,17)/b14-8+
InChIKeyIVZYXKYHIAGHKM-RIYZIHGNSA-N
XLogP2.11
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetamide
CID 5810451
N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333280
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
2-oxo-N-propyl-2-[(2E)-2-(thien-2-ylmethylene)hydrazino]acetamide
CID 9596811
N-isopropyl-2-{N'-[(E)-thiophen-2-ylmethylidene]hydrazinecarbonyl}acetamide
CID 6065517
N-(2-methylpropyl)-1-{N'-[(E)-(3-methylthiophen-2-yl)methylidene]hydrazinecarbonyl}formamide
CID 9593719
N-(tert-butyl)-2-oxo-2-[2-(2-thienylmethylene)hydrazino]acetamide
CID 20846152
N-ethyl-1-(N'-((thiophen-2-yl)methylidene)hydrazinecarbonyl)formamide
CID 165889902
N-methyl-2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetamide
CID 9600046
N',N'-diethyl-N-(thiophen-2-ylmethylideneamino)oxamide
CID 2244311
N-(2-methylpropyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 2244512
N-(2-methoxyethyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3105093

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate (CID 71592935) is tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate is CC(NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccs1.
What is the InChIKey of tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
The InChIKey is IVZYXKYHIAGHKM-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-9(15-12(18)19-13(2,3)4)11(17)16-14-8-10-6-5-7-20-10/h5-9H,1-4H3,(H,15,18)(H,16,17)/b14-8+.
What are the key properties of tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate?
tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate has a molecular weight of 297.38 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-oxo-1-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]propan-2-yl]carbamate is sourced from PubChem (CID 71592935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).