N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide

C18H18N4O2S2 — CID 75278627

IUPACN-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C=Cc3cccs3)n2)s1
InChIInChI=1S/C18H18N4O2S2/c1-12-18(26-13(2)20-12)15-6-8-17(24)22(21-15)10-9-19-16(23)7-5-14-4-3-11-25-14/h3-8,11H,9-10H2,1-2H3,(H,19,23)
InChIKeyIDGNVUZWAOHWMJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.87
Rot. Bonds6

About N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide

N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 75278627) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID75278627
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC NameN-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide
SMILESCc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C=Cc3cccs3)n2)s1
InChIInChI=1S/C18H18N4O2S2/c1-12-18(26-13(2)20-12)15-6-8-17(24)22(21-15)10-9-19-16(23)7-5-14-4-3-11-25-14/h3-8,11H,9-10H2,1-2H3,(H,19,23)
InChIKeyIDGNVUZWAOHWMJ-UHFFFAOYSA-N
XLogP2.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]but-2-enamide
CID 75278615
N-[2-[3-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylprop-2-enamide
CID 75278663
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 122279136
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
(E)-N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 121139199
(Z)-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 117055273
(E)-N-[2-(2-methoxyethylamino)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 82994511
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716
(E)-N-(3,3-diphenylpropyl)-3-thiophen-2-ylprop-2-enamide
CID 887285
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
CID 121034389

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide (CID 75278627) is N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is Cc1nc(C)c(-c2ccc(=O)n(CCNC(=O)C=Cc3cccs3)n2)s1.
What is the InChIKey of N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is IDGNVUZWAOHWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-12-18(26-13(2)20-12)15-6-8-17(24)22(21-15)10-9-19-16(23)7-5-14-4-3-11-25-14/h3-8,11H,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide?
N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 386.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]ethyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 75278627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).