N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine

C16H20N6S — CID 167779685

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3cn4ccsc4n3)C2)nn1
InChIInChI=1S/C16H20N6S/c1-12-4-5-15(20-19-12)21-6-2-3-13(10-21)17-9-14-11-22-7-8-23-16(22)18-14/h4-5,7-8,11,13,17H,2-3,6,9-10H2,1H3
InChIKeyYIOCVLQTFDRISJ-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.25
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine (PubChem CID 167779685) has the molecular formula C16H20N6S and a molecular weight of 328.45 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
PubChem CID167779685
Molecular FormulaC16H20N6S
Molecular Weight328.45 g/mol
Exact Mass328.15
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCc3cn4ccsc4n3)C2)nn1
InChIInChI=1S/C16H20N6S/c1-12-4-5-15(20-19-12)21-6-2-3-13(10-21)17-9-14-11-22-7-8-23-16(22)18-14/h4-5,7-8,11,13,17H,2-3,6,9-10H2,1H3
InChIKeyYIOCVLQTFDRISJ-UHFFFAOYSA-N
XLogP2.25
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95340378
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
(3S)-N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95348610
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 115331691
(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
N-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 115332085

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine (CID 167779685) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine is Cc1ccc(N2CCCC(NCc3cn4ccsc4n3)C2)nn1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
The InChIKey is YIOCVLQTFDRISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-12-4-5-15(20-19-12)21-6-2-3-13(10-21)17-9-14-11-22-7-8-23-16(22)18-14/h4-5,7-8,11,13,17H,2-3,6,9-10H2,1H3.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine has a molecular weight of 328.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine is sourced from PubChem (CID 167779685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).