(6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one

C16H19N3OS — CID 167953107

IUPAC(6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one
SMILESCc1sc(NC[C@H]2CCCC(=O)N2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11-15(12-6-3-2-4-7-12)19-16(21-11)17-10-13-8-5-9-14(20)18-13/h2-4,6-7,13H,5,8-10H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyNKBSTDPHFAAEPP-CYBMUJFWSA-N
MW301.41 g/mol
LogP3.20
Rot. Bonds4

About (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one

(6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one (PubChem CID 167953107) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one
PubChem CID167953107
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one
SMILESCc1sc(NC[C@H]2CCCC(=O)N2)nc1-c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11-15(12-6-3-2-4-7-12)19-16(21-11)17-10-13-8-5-9-14(20)18-13/h2-4,6-7,13H,5,8-10H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyNKBSTDPHFAAEPP-CYBMUJFWSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one?
The IUPAC name of (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one (CID 167953107) is (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one?
The canonical SMILES for (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one is Cc1sc(NC[C@H]2CCCC(=O)N2)nc1-c1ccccc1.
What is the InChIKey of (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one?
The InChIKey is NKBSTDPHFAAEPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-15(12-6-3-2-4-7-12)19-16(21-11)17-10-13-8-5-9-14(20)18-13/h2-4,6-7,13H,5,8-10H2,1H3,(H,17,19)(H,18,20)/t13-/m1/s1.
What are the key properties of (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one?
(6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one has a molecular weight of 301.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 167953107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).