(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide

C10H11Br2NO2S — CID 134968364

IUPAC(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide
SMILESCC(C)(C)O/N=C(\Br)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H11Br2NO2S/c1-10(2,3)15-13-9(12)8(14)6-4-5-7(11)16-6/h4-5H,1-3H3/b13-9-
InChIKeyBJMFCJMTYNXMDJ-LCYFTJDESA-N
MW369.08 g/mol
LogP4.22
Rot. Bonds3

About (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide

(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide (PubChem CID 134968364) has the molecular formula C10H11Br2NO2S and a molecular weight of 369.08 g/mol. Its IUPAC name is (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide.

Molecular Properties

Compound Name(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide
PubChem CID134968364
Molecular FormulaC10H11Br2NO2S
Molecular Weight369.08 g/mol
Exact Mass366.89
IUPAC Name(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide
SMILESCC(C)(C)O/N=C(\Br)C(=O)c1ccc(Br)s1
InChIInChI=1S/C10H11Br2NO2S/c1-10(2,3)15-13-9(12)8(14)6-4-5-7(11)16-6/h4-5H,1-3H3/b13-9-
InChIKeyBJMFCJMTYNXMDJ-LCYFTJDESA-N
XLogP4.22
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.08
LogP ≤ 54.22
H-Bond Donors ≤ 50
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

(1Z)-N-[(2-methylpropan-2-yl)oxy]-2-(5-methylthiophen-2-yl)-2-oxoethanimidoyl bromide
CID 134968306
2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide
CID 82124453
N-[amino-(5-bromothiophen-2-yl)methylidene]acetamide
CID 123702508
1-(5-bromothiophen-2-yl)-2,2-difluoropropan-1-one
CID 126985911
2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide
CID 82121850
tert-butyl 4-(5-bromothiophen-2-yl)-2,4-dioxobutanoate
CID 116836433
1-(5-bromothiophen-2-yl)-2-chloropropan-1-one
CID 61103388
5-bromo-N-(3-hydroxy-2,3-dimethylbutan-2-yl)thiophene-2-carboxamide
CID 103895550
but-2-ynyl 5-bromothiophene-2-carboxylate
CID 130718812
methyl 3-(5-bromothiophen-2-yl)-2-chloro-3-oxopropanoate
CID 82490118
1-(5-bromothiophen-2-yl)-2-(1,1-dihydroxyethylamino)propan-1-one
CID 140598923
prop-2-ynyl 5-bromothiophene-2-carboxylate
CID 14126968

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide?
The IUPAC name of (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide (CID 134968364) is (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide.
What is the SMILES notation for (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide?
The canonical SMILES for (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide is CC(C)(C)O/N=C(\Br)C(=O)c1ccc(Br)s1.
What is the InChIKey of (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide?
The InChIKey is BJMFCJMTYNXMDJ-LCYFTJDESA-N. The full InChI is InChI=1S/C10H11Br2NO2S/c1-10(2,3)15-13-9(12)8(14)6-4-5-7(11)16-6/h4-5H,1-3H3/b13-9-.
What are the key properties of (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide?
(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide has a molecular weight of 369.08 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide is sourced from PubChem (CID 134968364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).