(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide

C14H10Br2N2O2S — CID 132591109

IUPAC(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C14H10Br2N2O2S/c15-8-1-4-10(11(16)7-8)12-5-2-9(20-12)3-6-13(19)18-14(17)21/h1-7H,(H3,17,18,19,21)/b6-3+
InChIKeyXUOITMLNWPZYML-ZZXKWVIFSA-N
MW430.12 g/mol
LogP3.84
Rot. Bonds3

About (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide

(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide (PubChem CID 132591109) has the molecular formula C14H10Br2N2O2S and a molecular weight of 430.12 g/mol. Its IUPAC name is (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
PubChem CID132591109
Molecular FormulaC14H10Br2N2O2S
Molecular Weight430.12 g/mol
Exact Mass427.88
IUPAC Name(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
SMILESNC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C14H10Br2N2O2S/c15-8-1-4-10(11(16)7-8)12-5-2-9(20-12)3-6-13(19)18-14(17)21/h1-7H,(H3,17,18,19,21)/b6-3+
InChIKeyXUOITMLNWPZYML-ZZXKWVIFSA-N
XLogP3.84
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.12
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[5-(2,4-dibromophenyl)furan-2-yl]-N-hydroxyprop-2-enamide
CID 91678298
(E)-N-(4-amino-2-bromo-6-methylphenyl)-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide
CID 100828433
(E)-N-carbamothioyl-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 132591100
3-[5-(4-bromo-2-fluorophenyl)furan-2-yl]prop-2-enamide
CID 53395708
(E)-N-carbamothioyl-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamide
CID 132591132
(Z)-3-[5-(4-bromo-2-methylphenyl)furan-2-yl]prop-2-enamide
CID 124650754
(E)-3-[5-(4-bromo-2-nitrophenyl)furan-2-yl]prop-2-enehydrazide
CID 91675716
(E)-3-[5-(2-bromo-4-chlorophenyl)furan-2-yl]prop-2-enoyl chloride
CID 28694182
(E)-3-[5-(4-bromo-2-chlorophenyl)furan-2-yl]prop-2-enoic acid
CID 17274084
[(E)-[5-(2,4-dibromophenyl)furan-2-yl]methylideneamino] acetate
CID 91674121
(E)-N-[(4-bromo-2-methylphenyl)carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274464
5-bromo-2-[5-[(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50884482

Frequently Asked Questions

What is the IUPAC name of (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide (CID 132591109) is (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide is NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide?
The InChIKey is XUOITMLNWPZYML-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S/c15-8-1-4-10(11(16)7-8)12-5-2-9(20-12)3-6-13(19)18-14(17)21/h1-7H,(H3,17,18,19,21)/b6-3+.
What are the key properties of (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide?
(E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide has a molecular weight of 430.12 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-carbamothioyl-3-[5-(2,4-dibromophenyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 132591109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).