tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate

C10H13BrN2O2S — CID 6391739

IUPACtert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2O2S/c1-10(2,3)15-9(14)13-12-6-7-4-5-8(11)16-7/h4-6H,1-3H3,(H,13,14)/b12-6-
InChIKeyYRUQQMGMOWBTEA-SDQBBNPISA-N
MW305.20 g/mol
LogP3.37
Rot. Bonds2

About tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate

tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate (PubChem CID 6391739) has the molecular formula C10H13BrN2O2S and a molecular weight of 305.20 g/mol. Its IUPAC name is tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate
PubChem CID6391739
Molecular FormulaC10H13BrN2O2S
Molecular Weight305.20 g/mol
Exact Mass303.99
IUPAC Nametert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate
SMILESCC(C)(C)OC(=O)N/N=C\c1ccc(Br)s1
InChIInChI=1S/C10H13BrN2O2S/c1-10(2,3)15-9(14)13-12-6-7-4-5-8(11)16-7/h4-6H,1-3H3,(H,13,14)/b12-6-
InChIKeyYRUQQMGMOWBTEA-SDQBBNPISA-N
XLogP3.37
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

tert-butyl N-[(Z)-thiophen-2-ylmethylideneamino]carbamate
CID 5399730
tert-butyl N-[(E)-1-benzothiophen-2-ylmethylideneamino]carbamate
CID 16731403
N,N'-bis[(5-bromothiophen-2-yl)methylideneamino]hexanediamide
CID 5114030
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]hexanamide
CID 6167295
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5395064
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
methyl N-[(5-chlorothiophen-2-yl)methylideneamino]carbamate
CID 3254663
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-cyanoacetamide
CID 5375065
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
tert-butyl N-[(5-bromo-2-fluorophenyl)methylideneamino]carbamate
CID 4564535

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate?
The IUPAC name of tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate (CID 6391739) is tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate is CC(C)(C)OC(=O)N/N=C\c1ccc(Br)s1.
What is the InChIKey of tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate?
The InChIKey is YRUQQMGMOWBTEA-SDQBBNPISA-N. The full InChI is InChI=1S/C10H13BrN2O2S/c1-10(2,3)15-9(14)13-12-6-7-4-5-8(11)16-7/h4-6H,1-3H3,(H,13,14)/b12-6-.
What are the key properties of tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate?
tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate has a molecular weight of 305.20 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]carbamate is sourced from PubChem (CID 6391739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).