N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

C15H22N6OS — CID 56778158

IUPACN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCCOc1nnc(CNC2CCCN(c3ccc(C)nn3)C2)s1
InChIInChI=1S/C15H22N6OS/c1-3-22-15-20-19-14(23-15)9-16-12-5-4-8-21(10-12)13-7-6-11(2)17-18-13/h6-7,12,16H,3-5,8-10H2,1-2H3
InChIKeyFYWCTCRLHWXBMN-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.79
Rot. Bonds6

About N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (PubChem CID 56778158) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
PubChem CID56778158
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCCOc1nnc(CNC2CCCN(c3ccc(C)nn3)C2)s1
InChIInChI=1S/C15H22N6OS/c1-3-22-15-20-19-14(23-15)9-16-12-5-4-8-21(10-12)13-7-6-11(2)17-18-13/h6-7,12,16H,3-5,8-10H2,1-2H3
InChIKeyFYWCTCRLHWXBMN-UHFFFAOYSA-N
XLogP1.79
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The IUPAC name of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine (CID 56778158) is N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is CCOc1nnc(CNC2CCCN(c3ccc(C)nn3)C2)s1.
What is the InChIKey of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The InChIKey is FYWCTCRLHWXBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-3-22-15-20-19-14(23-15)9-16-12-5-4-8-21(10-12)13-7-6-11(2)17-18-13/h6-7,12,16H,3-5,8-10H2,1-2H3.
What are the key properties of N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine has a molecular weight of 334.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 56778158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).