[(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate

C13H11BrN2O2S — CID 6309724

IUPAC[(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate
SMILESC/C(=N/OC(=O)Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C13H11BrN2O2S/c1-9(12-7-4-8-19-12)16-18-13(17)15-11-6-3-2-5-10(11)14/h2-8H,1H3,(H,15,17)/b16-9-
InChIKeyQBBLWKYABCKDPZ-SXGWCWSVSA-N
MW339.21 g/mol
LogP4.48
Rot. Bonds3

About [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate

[(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate (PubChem CID 6309724) has the molecular formula C13H11BrN2O2S and a molecular weight of 339.21 g/mol. Its IUPAC name is [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate.

Molecular Properties

Compound Name[(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate
PubChem CID6309724
Molecular FormulaC13H11BrN2O2S
Molecular Weight339.21 g/mol
Exact Mass337.97
IUPAC Name[(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate
SMILESC/C(=N/OC(=O)Nc1ccccc1Br)c1cccs1
InChIInChI=1S/C13H11BrN2O2S/c1-9(12-7-4-8-19-12)16-18-13(17)15-11-6-3-2-5-10(11)14/h2-8H,1H3,(H,15,17)/b16-9-
InChIKeyQBBLWKYABCKDPZ-SXGWCWSVSA-N
XLogP4.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-thiophen-2-ylethylideneamino] 3-bromo-4-methylbenzoate
CID 6233145
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N-(2-bromophenyl)-2-(1-thiophen-2-ylethenylamino)oxyacetamide
CID 2336640
N-(2,4-dimethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827694
[(E)-1-chloroethylideneamino] N-[2-(trifluoromethyl)phenyl]carbamate
CID 5466027
[(Z)-1-thiophen-2-ylethylideneamino] 3-chloro-1-benzothiophene-2-carboxylate
CID 6233138
N-[2-[[2-(2-bromoanilino)-2-oxoethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 24681758
N-(2-chlorophenyl)-N'-[(E)-1-thiophen-2-ylethylideneamino]oxamide
CID 19660564
N-[2-(thiophene-2-carbonyl)phenyl]acetamide
CID 18987253
(1-thiophen-2-ylethylideneamino) benzenesulfonate
CID 87078851
3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
[(Z)-1-thiophen-2-ylethylideneamino] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6390063

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate?
The IUPAC name of [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate (CID 6309724) is [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate.
What is the SMILES notation for [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate?
The canonical SMILES for [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate is C/C(=N/OC(=O)Nc1ccccc1Br)c1cccs1.
What is the InChIKey of [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate?
The InChIKey is QBBLWKYABCKDPZ-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H11BrN2O2S/c1-9(12-7-4-8-19-12)16-18-13(17)15-11-6-3-2-5-10(11)14/h2-8H,1H3,(H,15,17)/b16-9-.
What are the key properties of [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate?
[(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate has a molecular weight of 339.21 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-thiophen-2-ylethylideneamino] N-(2-bromophenyl)carbamate is sourced from PubChem (CID 6309724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).