1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine

C15H21N5S — CID 75419949

IUPAC1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3cnc(C)s3)C2)nn1
InChIInChI=1S/C15H21N5S/c1-11-5-6-15(19-18-11)20-7-3-4-13(10-20)17-9-14-8-16-12(2)21-14/h5-6,8,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyKUIPCSUPJJPXPK-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.31
Rot. Bonds4

About 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine

1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine (PubChem CID 75419949) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
PubChem CID75419949
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3cnc(C)s3)C2)nn1
InChIInChI=1S/C15H21N5S/c1-11-5-6-15(19-18-11)20-7-3-4-13(10-20)17-9-14-8-16-12(2)21-14/h5-6,8,13,17H,3-4,7,9-10H2,1-2H3
InChIKeyKUIPCSUPJJPXPK-UHFFFAOYSA-N
XLogP2.31
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine (CID 75419949) is 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine is Cc1ccc(N2CCCC(NCc3cnc(C)s3)C2)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
The InChIKey is KUIPCSUPJJPXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-11-5-6-15(19-18-11)20-7-3-4-13(10-20)17-9-14-8-16-12(2)21-14/h5-6,8,13,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine?
1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine has a molecular weight of 303.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 75419949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).