[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

C15H21N5OS — CID 124684814

IUPAC[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1
InChIInChI=1S/C15H21N5OS/c1-16-6-11-4-3-5-20(9-11)15(21)13-8-17-14(22-13)12-7-18-19(2)10-12/h7-8,10-11,16H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeyTZLJLADFUVQFJQ-LLVKDONJSA-N
MW319.43 g/mol
LogP1.62
Rot. Bonds4

About [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 124684814) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
PubChem CID124684814
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1
InChIInChI=1S/C15H21N5OS/c1-16-6-11-4-3-5-20(9-11)15(21)13-8-17-14(22-13)12-7-18-19(2)10-12/h7-8,10-11,16H,3-6,9H2,1-2H3/t11-/m1/s1
InChIKeyTZLJLADFUVQFJQ-LLVKDONJSA-N
XLogP1.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119540953
[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 127310888
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-[(3R)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 96503107
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
(5-bromothiophen-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61206369
[4-(2-methylpropoxy)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 56788126
(1-ethylpyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396309
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
[3-(methylamino)piperidin-1-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
CID 119488915
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-(methylaminomethyl)piperidin-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone
CID 80746000
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491471

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (CID 124684814) is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is CNC[C@H]1CCCN(C(=O)c2cnc(-c3cnn(C)c3)s2)C1.
What is the InChIKey of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is TZLJLADFUVQFJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-16-6-11-4-3-5-20(9-11)15(21)13-8-17-14(22-13)12-7-18-19(2)10-12/h7-8,10-11,16H,3-6,9H2,1-2H3/t11-/m1/s1.
What are the key properties of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 319.43 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 124684814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).