(Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one

C9H8N4OS — CID 98526496

IUPAC(Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
SMILESCn1cc(C(=O)/C=C\c2csnn2)cn1
InChIInChI=1S/C9H8N4OS/c1-13-5-7(4-10-13)9(14)3-2-8-6-15-12-11-8/h2-6H,1H3/b3-2-
InChIKeyGSTIHQKMMZDOJJ-IHWYPQMZSA-N
MW220.26 g/mol
LogP1.17
Rot. Bonds3

About (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one

(Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one (PubChem CID 98526496) has the molecular formula C9H8N4OS and a molecular weight of 220.26 g/mol. Its IUPAC name is (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
PubChem CID98526496
Molecular FormulaC9H8N4OS
Molecular Weight220.26 g/mol
Exact Mass220.04
IUPAC Name(Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one
SMILESCn1cc(C(=O)/C=C\c2csnn2)cn1
InChIInChI=1S/C9H8N4OS/c1-13-5-7(4-10-13)9(14)3-2-8-6-15-12-11-8/h2-6H,1H3/b3-2-
InChIKeyGSTIHQKMMZDOJJ-IHWYPQMZSA-N
XLogP1.17
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one 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 (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one (CID 98526496) is (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one is Cn1cc(C(=O)/C=C\c2csnn2)cn1.
What is the InChIKey of (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one?
The InChIKey is GSTIHQKMMZDOJJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H8N4OS/c1-13-5-7(4-10-13)9(14)3-2-8-6-15-12-11-8/h2-6H,1H3/b3-2-.
What are the key properties of (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one?
(Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one has a molecular weight of 220.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1-methylpyrazol-4-yl)-3-(thiadiazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 98526496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).