(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine

C14H19N5S — CID 95340378

IUPAC(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@@H](NCc3cscn3)C2)nn1
InChIInChI=1S/C14H19N5S/c1-11-4-5-14(18-17-11)19-6-2-3-12(8-19)15-7-13-9-20-10-16-13/h4-5,9-10,12,15H,2-3,6-8H2,1H3/t12-/m1/s1
InChIKeyXZCBFWHRTCCBOD-GFCCVEGCSA-N
MW289.41 g/mol
LogP2.00
Rot. Bonds4

About (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine

(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine (PubChem CID 95340378) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
PubChem CID95340378
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
SMILESCc1ccc(N2CCC[C@@H](NCc3cscn3)C2)nn1
InChIInChI=1S/C14H19N5S/c1-11-4-5-14(18-17-11)19-6-2-3-12(8-19)15-7-13-9-20-10-16-13/h4-5,9-10,12,15H,2-3,6-8H2,1H3/t12-/m1/s1
InChIKeyXZCBFWHRTCCBOD-GFCCVEGCSA-N
XLogP2.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 167779685
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
(3S)-1-(6-methylpyridazin-3-yl)-N-[(1-phenylpyrazol-3-yl)methyl]piperidin-3-amine
CID 97186357
(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
4-fluoro-3-[[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]methyl]benzonitrile
CID 97186348
(3S)-1-(6-methylpyridazin-3-yl)-N-(2-pyrazol-1-ylethyl)piperidin-3-amine
CID 95347521
(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
The IUPAC name of (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine (CID 95340378) is (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine is Cc1ccc(N2CCC[C@@H](NCc3cscn3)C2)nn1.
What is the InChIKey of (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
The InChIKey is XZCBFWHRTCCBOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5S/c1-11-4-5-14(18-17-11)19-6-2-3-12(8-19)15-7-13-9-20-10-16-13/h4-5,9-10,12,15H,2-3,6-8H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine?
(3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine has a molecular weight of 289.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-methylpyridazin-3-yl)-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 95340378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).