1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide

C15H14N4O2S2 — CID 90546800

IUPAC1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H14N4O2S2/c1-9-12(23-15(17-9)11-4-3-7-22-11)8-16-14(21)10-5-6-13(20)19(2)18-10/h3-7H,8H2,1-2H3,(H,16,21)
InChIKeyUPKNRGQPZMUIIS-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.20
Rot. Bonds4

About 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide

1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 90546800) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID90546800
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC Name1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCc1nc(-c2cccs2)sc1CNC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C15H14N4O2S2/c1-9-12(23-15(17-9)11-4-3-7-22-11)8-16-14(21)10-5-6-13(20)19(2)18-10/h3-7H,8H2,1-2H3,(H,16,21)
InChIKeyUPKNRGQPZMUIIS-UHFFFAOYSA-N
XLogP2.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 90546811
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 90546921
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 121122679
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
2-methoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546701
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
(E)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 90546808
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-4-nitrobenzamide
CID 90546827

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide (CID 90546800) is 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide is Cc1nc(-c2cccs2)sc1CNC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is UPKNRGQPZMUIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-9-12(23-15(17-9)11-4-3-7-22-11)8-16-14(21)10-5-6-13(20)19(2)18-10/h3-7H,8H2,1-2H3,(H,16,21).
What are the key properties of 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide?
1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 346.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 90546800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).