(E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide

C10H10N4OS — CID 126575255

IUPAC(E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide
SMILESCn1cc(-c2nc(/C=C/C(N)=O)cs2)cn1
InChIInChI=1S/C10H10N4OS/c1-14-5-7(4-12-14)10-13-8(6-16-10)2-3-9(11)15/h2-6H,1H3,(H2,11,15)/b3-2+
InChIKeyMZANHZGVCXYGQY-NSCUHMNNSA-N
MW234.28 g/mol
LogP1.04
Rot. Bonds3

About (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide

(E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide (PubChem CID 126575255) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide
PubChem CID126575255
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name(E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide
SMILESCn1cc(-c2nc(/C=C/C(N)=O)cs2)cn1
InChIInChI=1S/C10H10N4OS/c1-14-5-7(4-12-14)10-13-8(6-16-10)2-3-9(11)15/h2-6H,1H3,(H2,11,15)/b3-2+
InChIKeyMZANHZGVCXYGQY-NSCUHMNNSA-N
XLogP1.04
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]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-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide (CID 126575255) is (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide is Cn1cc(-c2nc(/C=C/C(N)=O)cs2)cn1.
What is the InChIKey of (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide?
The InChIKey is MZANHZGVCXYGQY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-14-5-7(4-12-14)10-13-8(6-16-10)2-3-9(11)15/h2-6H,1H3,(H2,11,15)/b3-2+.
What are the key properties of (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide?
(E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide has a molecular weight of 234.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]prop-2-enamide is sourced from PubChem (CID 126575255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).