[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C16H19N3OS — CID 125010829

IUPAC[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cccc(C[C@@H]2CCCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C16H19N3OS/c1-12-4-2-6-14(18-12)8-13-5-3-7-19(9-13)16(20)15-10-21-11-17-15/h2,4,6,10-11,13H,3,5,7-9H2,1H3/t13-/m0/s1
InChIKeyVLZPLTZUMQHPLG-ZDUSSCGKSA-N
MW301.41 g/mol
LogP2.94
Rot. Bonds3

About [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 125010829) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID125010829
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cccc(C[C@@H]2CCCN(C(=O)c3cscn3)C2)n1
InChIInChI=1S/C16H19N3OS/c1-12-4-2-6-14(18-12)8-13-5-3-7-19(9-13)16(20)15-10-21-11-17-15/h2,4,6,10-11,13H,3,5,7-9H2,1H3/t13-/m0/s1
InChIKeyVLZPLTZUMQHPLG-ZDUSSCGKSA-N
XLogP2.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 125022661
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
(6-methyl-2-pyridinyl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 125006896
(3-ethyl-1,2-oxazol-5-yl)-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103345
[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010946
6-[[(6S)-4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95842641
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124973172
2,3-dihydro-1,4-benzodioxin-5-yl-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124980830
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43422119
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 166613031
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 125010829) is [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cccc(C[C@@H]2CCCN(C(=O)c3cscn3)C2)n1.
What is the InChIKey of [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is VLZPLTZUMQHPLG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-4-2-6-14(18-12)8-13-5-3-7-19(9-13)16(20)15-10-21-11-17-15/h2,4,6,10-11,13H,3,5,7-9H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 301.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 125010829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).