N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

C14H19N5S — CID 154747903

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1ncc(CNC2CCCN(c3cccnn3)C2)s1
InChIInChI=1S/C14H19N5S/c1-11-15-8-13(20-11)9-16-12-4-3-7-19(10-12)14-5-2-6-17-18-14/h2,5-6,8,12,16H,3-4,7,9-10H2,1H3
InChIKeyLYVIUBFYSVLYGP-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.00
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (PubChem CID 154747903) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
PubChem CID154747903
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
SMILESCc1ncc(CNC2CCCN(c3cccnn3)C2)s1
InChIInChI=1S/C14H19N5S/c1-11-15-8-13(20-11)9-16-12-4-3-7-19(10-12)14-5-2-6-17-18-14/h2,5-6,8,12,16H,3-4,7,9-10H2,1H3
InChIKeyLYVIUBFYSVLYGP-UHFFFAOYSA-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-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 60937187
(3S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545122
(3S)-N-[(2-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544986
(3R)-N-[(2,6-difluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124545142
(3R)-N-[(2-fluorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 124544993
(3S)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321236
(3S)-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95327503
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3R)-N-(2-methylsulfonylethyl)-1-pyridazin-3-ylpiperidin-3-amine
CID 95331275
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95321454
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 56778130

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine (CID 154747903) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is Cc1ncc(CNC2CCCN(c3cccnn3)C2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
The InChIKey is LYVIUBFYSVLYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-11-15-8-13(20-11)9-16-12-4-3-7-19(10-12)14-5-2-6-17-18-14/h2,5-6,8,12,16H,3-4,7,9-10H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-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 N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine is sourced from PubChem (CID 154747903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).