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

C19H18N6OS2 — CID 90546921

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3sc(-c4cccs4)nc3C)nn2)n1
InChIInChI=1S/C19H18N6OS2/c1-11-9-12(2)25(24-11)17-7-6-14(22-23-17)18(26)20-10-16-13(3)21-19(28-16)15-5-4-8-27-15/h4-9H,10H2,1-3H3,(H,20,26)
InChIKeyBCTUSSHKUYHFNL-UHFFFAOYSA-N
MW410.53 g/mol
LogP3.70
Rot. Bonds5

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

6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide (PubChem CID 90546921) has the molecular formula C19H18N6OS2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
PubChem CID90546921
Molecular FormulaC19H18N6OS2
Molecular Weight410.53 g/mol
Exact Mass410.10
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3sc(-c4cccs4)nc3C)nn2)n1
InChIInChI=1S/C19H18N6OS2/c1-11-9-12(2)25(24-11)17-7-6-14(22-23-17)18(26)20-10-16-13(3)21-19(28-16)15-5-4-8-27-15/h4-9H,10H2,1-3H3,(H,20,26)
InChIKeyBCTUSSHKUYHFNL-UHFFFAOYSA-N
XLogP3.70
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546906
1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 90546800
3,4-dichloro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzamide
CID 90546721
1-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 90546811
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
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
4-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 90546415
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
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 121122325

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide (CID 90546921) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3sc(-c4cccs4)nc3C)nn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is BCTUSSHKUYHFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS2/c1-11-9-12(2)25(24-11)17-7-6-14(22-23-17)18(26)20-10-16-13(3)21-19(28-16)15-5-4-8-27-15/h4-9H,10H2,1-3H3,(H,20,26).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90546921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).