(E)-N-carbamothioyl-3-phenylprop-2-enamide

C10H10N2OS — CID 682055

IUPAC(E)-N-carbamothioyl-3-phenylprop-2-enamide
SMILESNC(=S)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H10N2OS/c11-10(14)12-9(13)7-6-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)/b7-6+
InChIKeyXWFDAVCQMMQZAQ-VOTSOKGWSA-N
MW206.27 g/mol
LogP1.06
Rot. Bonds2

About (E)-N-carbamothioyl-3-phenylprop-2-enamide

(E)-N-carbamothioyl-3-phenylprop-2-enamide (PubChem CID 682055) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is (E)-N-carbamothioyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-carbamothioyl-3-phenylprop-2-enamide
PubChem CID682055
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name(E)-N-carbamothioyl-3-phenylprop-2-enamide
SMILESNC(=S)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C10H10N2OS/c11-10(14)12-9(13)7-6-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)/b7-6+
InChIKeyXWFDAVCQMMQZAQ-VOTSOKGWSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-carbamothioyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-carbamothioyl-3-phenylprop-2-enamide (CID 682055) is (E)-N-carbamothioyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-carbamothioyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-carbamothioyl-3-phenylprop-2-enamide is NC(=S)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-carbamothioyl-3-phenylprop-2-enamide?
The InChIKey is XWFDAVCQMMQZAQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10(14)12-9(13)7-6-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)/b7-6+.
What are the key properties of (E)-N-carbamothioyl-3-phenylprop-2-enamide?
(E)-N-carbamothioyl-3-phenylprop-2-enamide has a molecular weight of 206.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-carbamothioyl-3-phenylprop-2-enamide is sourced from PubChem (CID 682055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).