(E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide

C14H13N3O2S — CID 883988

IUPAC(E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide
SMILESCc1cccnc1NC(=S)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-10-4-2-8-15-13(10)17-14(20)16-12(18)7-6-11-5-3-9-19-11/h2-9H,1H3,(H2,15,16,17,18,20)/b7-6+
InChIKeyWZXQVRHEKYFHOG-VOTSOKGWSA-N
MW287.34 g/mol
LogP2.51
Rot. Bonds3

About (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide (PubChem CID 883988) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide
PubChem CID883988
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name(E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide
SMILESCc1cccnc1NC(=S)NC(=O)/C=C/c1ccco1
InChIInChI=1S/C14H13N3O2S/c1-10-4-2-8-15-13(10)17-14(20)16-12(18)7-6-11-5-3-9-19-11/h2-9H,1H3,(H2,15,16,17,18,20)/b7-6+
InChIKeyWZXQVRHEKYFHOG-VOTSOKGWSA-N
XLogP2.51
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide (CID 883988) is (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide is Cc1cccnc1NC(=S)NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide?
The InChIKey is WZXQVRHEKYFHOG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-4-2-8-15-13(10)17-14(20)16-12(18)7-6-11-5-3-9-19-11/h2-9H,1H3,(H2,15,16,17,18,20)/b7-6+.
What are the key properties of (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide has a molecular weight of 287.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[(3-methyl-2-pyridinyl)carbamothioyl]prop-2-enamide is sourced from PubChem (CID 883988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).