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

C11H13N5OS — CID 62174780

IUPAC6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCc2csc(C)n2)nn1
InChIInChI=1S/C11H13N5OS/c1-7-14-8(6-18-7)5-13-11(17)9-3-4-10(12-2)16-15-9/h3-4,6H,5H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyHORQBDWQBDUHQD-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.21
Rot. Bonds4

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

6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide (PubChem CID 62174780) has the molecular formula C11H13N5OS and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
PubChem CID62174780
Molecular FormulaC11H13N5OS
Molecular Weight263.33 g/mol
Exact Mass263.08
IUPAC Name6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide
SMILESCNc1ccc(C(=O)NCc2csc(C)n2)nn1
InChIInChI=1S/C11H13N5OS/c1-7-14-8(6-18-7)5-13-11(17)9-3-4-10(12-2)16-15-9/h3-4,6H,5H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyHORQBDWQBDUHQD-UHFFFAOYSA-N
XLogP1.21
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 114035836
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridazine-3-carboxamide
CID 62524620
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-3-carboxamide
CID 47363953
3-fluoro-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62660002
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylic acid
CID 114139063
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
N-(2-fluoroethyl)-6-(methylamino)pyridazine-3-carboxamide
CID 130504947
4-hydrazinyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62249646
5-(3-hydroxyprop-1-ynyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62958804
N-tert-butyl-6-(methylamino)pyridazine-3-carboxamide
CID 62173045
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzamide
CID 108760187

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide (CID 62174780) is 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide is CNc1ccc(C(=O)NCc2csc(C)n2)nn1.
What is the InChIKey of 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide?
The InChIKey is HORQBDWQBDUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS/c1-7-14-8(6-18-7)5-13-11(17)9-3-4-10(12-2)16-15-9/h3-4,6H,5H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide?
6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 62174780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).