4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

C19H19N5OS — CID 122559046

IUPAC4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(-c2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C19H19N5OS/c1-24(12-18-20-10-11-26-18)19(25)14-4-2-13(3-5-14)16-8-9-17(23-22-16)21-15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,21,23)
InChIKeyDLNUAVNUDYIUGN-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.45
Rot. Bonds6

About 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide

4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 122559046) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID122559046
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESCN(Cc1nccs1)C(=O)c1ccc(-c2ccc(NC3CC3)nn2)cc1
InChIInChI=1S/C19H19N5OS/c1-24(12-18-20-10-11-26-18)19(25)14-4-2-13(3-5-14)16-8-9-17(23-22-16)21-15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,21,23)
InChIKeyDLNUAVNUDYIUGN-UHFFFAOYSA-N
XLogP3.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 122559046) is 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is CN(Cc1nccs1)C(=O)c1ccc(-c2ccc(NC3CC3)nn2)cc1.
What is the InChIKey of 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is DLNUAVNUDYIUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-24(12-18-20-10-11-26-18)19(25)14-4-2-13(3-5-14)16-8-9-17(23-22-16)21-15-6-7-15/h2-5,8-11,15H,6-7,12H2,1H3,(H,21,23).
What are the key properties of 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(cyclopropylamino)pyridazin-3-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 122559046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).