(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

C8H10N2OS2 — CID 131235703

IUPAC(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCS/C=C/C(=O)/N=c1\sccn1C
InChIInChI=1S/C8H10N2OS2/c1-10-4-6-13-8(10)9-7(11)3-5-12-2/h3-6H,1-2H3/b5-3+,9-8-
InChIKeyIUUAXWQVNLVRQK-QRSZSCANSA-N
MW214.32 g/mol
LogP1.39
Rot. Bonds2

About (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide

(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (PubChem CID 131235703) has the molecular formula C8H10N2OS2 and a molecular weight of 214.32 g/mol. Its IUPAC name is (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
PubChem CID131235703
Molecular FormulaC8H10N2OS2
Molecular Weight214.32 g/mol
Exact Mass214.02
IUPAC Name(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide
SMILESCS/C=C/C(=O)/N=c1\sccn1C
InChIInChI=1S/C8H10N2OS2/c1-10-4-6-13-8(10)9-7(11)3-5-12-2/h3-6H,1-2H3/b5-3+,9-8-
InChIKeyIUUAXWQVNLVRQK-QRSZSCANSA-N
XLogP1.39
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)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-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The IUPAC name of (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide (CID 131235703) is (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide.
What is the SMILES notation for (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The canonical SMILES for (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is CS/C=C/C(=O)/N=c1\sccn1C.
What is the InChIKey of (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
The InChIKey is IUUAXWQVNLVRQK-QRSZSCANSA-N. The full InChI is InChI=1S/C8H10N2OS2/c1-10-4-6-13-8(10)9-7(11)3-5-12-2/h3-6H,1-2H3/b5-3+,9-8-.
What are the key properties of (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide?
(E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide has a molecular weight of 214.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylsulfanyl-N-(3-methyl-1,3-thiazol-2-ylidene)prop-2-enamide is sourced from PubChem (CID 131235703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).