(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide

C14H14N4O2S2 — CID 131894443

IUPAC(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cc(CO)cs1)c1cn2ncsc2n1
InChIInChI=1S/C14H14N4O2S2/c1-9(12-5-18-14(17-12)22-8-15-18)16-13(20)3-2-11-4-10(6-19)7-21-11/h2-5,7-9,19H,6H2,1H3,(H,16,20)/b3-2+
InChIKeyNFLSHXKOJDTUEW-NSCUHMNNSA-N
MW334.43 g/mol
LogP2.24
Rot. Bonds5

About (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide

(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide (PubChem CID 131894443) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
PubChem CID131894443
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide
SMILESCC(NC(=O)/C=C/c1cc(CO)cs1)c1cn2ncsc2n1
InChIInChI=1S/C14H14N4O2S2/c1-9(12-5-18-14(17-12)22-8-15-18)16-13(20)3-2-11-4-10(6-19)7-21-11/h2-5,7-9,19H,6H2,1H3,(H,16,20)/b3-2+
InChIKeyNFLSHXKOJDTUEW-NSCUHMNNSA-N
XLogP2.24
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)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

Related Compounds

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 70753994
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]prop-2-enamide
CID 131936406
3-[4-(hydroxymethyl)thiophen-2-yl]-N-[2-(methylsulfamoyl)ethyl]prop-2-enamide
CID 171139464
methyl 2-imidazo[2,1-b][1,3,4]thiadiazol-6-ylpropanoate
CID 67420161
3-imidazo[1,2-a]pyridin-2-yl-N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]propanamide
CID 95123356
2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
CID 119062039
1-ethyl-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[2-(3-methylphenoxy)ethyl]urea
CID 122558681
1-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)urea
CID 74230786
3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
CID 91765837
1-(3-hydroxypropyl)-3-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-[(5-methylthiophen-2-yl)methyl]urea
CID 122565253

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide (CID 131894443) is (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide is CC(NC(=O)/C=C/c1cc(CO)cs1)c1cn2ncsc2n1.
What is the InChIKey of (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide?
The InChIKey is NFLSHXKOJDTUEW-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-9(12-5-18-14(17-12)22-8-15-18)16-13(20)3-2-11-4-10(6-19)7-21-11/h2-5,7-9,19H,6H2,1H3,(H,16,20)/b3-2+.
What are the key properties of (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide?
(E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide has a molecular weight of 334.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(hydroxymethyl)thiophen-2-yl]-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)prop-2-enamide is sourced from PubChem (CID 131894443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).