(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide

C18H15N3OS2 — CID 1114505

IUPAC(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)/C=C/c3cccs3)c2n1
InChIInChI=1S/C18H15N3OS2/c1-12-7-8-13-4-2-6-15(17(13)19-12)20-18(23)21-16(22)10-9-14-5-3-11-24-14/h2-11H,1H3,(H2,20,21,22,23)/b10-9+
InChIKeyQDNFUCRYLQUFPE-MDZDMXLPSA-N
MW353.47 g/mol
LogP4.13
Rot. Bonds3

About (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide

(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 1114505) has the molecular formula C18H15N3OS2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID1114505
Molecular FormulaC18H15N3OS2
Molecular Weight353.47 g/mol
Exact Mass353.07
IUPAC Name(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)/C=C/c3cccs3)c2n1
InChIInChI=1S/C18H15N3OS2/c1-12-7-8-13-4-2-6-15(17(13)19-12)20-18(23)21-16(22)10-9-14-5-3-11-24-14/h2-11H,1H3,(H2,20,21,22,23)/b10-9+
InChIKeyQDNFUCRYLQUFPE-MDZDMXLPSA-N
XLogP4.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.13
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'}

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Related Compounds

N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
CID 778896
N-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 17354102
(E)-3-[5-(4-bromophenyl)furan-2-yl]-N-[(2-methylquinolin-8-yl)carbamothioyl]prop-2-enamide
CID 17313447
(E)-N-[(2-ethoxyphenyl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1226916
N,N-dimethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4942669
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
N-ethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4949616
N-(6-methyl-2-pyridinyl)-3-thiophen-2-ylprop-2-enamide
CID 903281
(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
CID 6235093
N-(3,4-dimethylphenyl)-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)benzamide
CID 4944611
N-(3,4-dimethylphenyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]benzamide
CID 6234957
(E)-3-thiophen-2-yl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide
CID 54591661

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide (CID 1114505) is (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is Cc1ccc2cccc(NC(=S)NC(=O)/C=C/c3cccs3)c2n1.
What is the InChIKey of (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is QDNFUCRYLQUFPE-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H15N3OS2/c1-12-7-8-13-4-2-6-15(17(13)19-12)20-18(23)21-16(22)10-9-14-5-3-11-24-14/h2-11H,1H3,(H2,20,21,22,23)/b10-9+.
What are the key properties of (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide?
(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 353.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 1114505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).