2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole

C18H20N4S — CID 99844268

IUPAC2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESCc1nc2ccccc2nc1CN1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C18H20N4S/c1-13-16(21-15-7-3-2-6-14(15)20-13)12-22-10-5-4-8-17(22)18-19-9-11-23-18/h2-3,6-7,9,11,17H,4-5,8,10,12H2,1H3/t17-/m1/s1
InChIKeyABHDLQOJBTUHFV-QGZVFWFLSA-N
MW324.45 g/mol
LogP4.12
Rot. Bonds3

About 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole

2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole (PubChem CID 99844268) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
PubChem CID99844268
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
SMILESCc1nc2ccccc2nc1CN1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C18H20N4S/c1-13-16(21-15-7-3-2-6-14(15)20-13)12-22-10-5-4-8-17(22)18-19-9-11-23-18/h2-3,6-7,9,11,17H,4-5,8,10,12H2,1H3/t17-/m1/s1
InChIKeyABHDLQOJBTUHFV-QGZVFWFLSA-N
XLogP4.12
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 26333322
2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]-1,3-thiazole
CID 77087825
2-methyl-5-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136328
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603
N,N-dimethyl-2-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 126463349
2-[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]-1,3-thiazole
CID 77091401
6-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 56860296
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 42465919
5-methyl-2-(5-methylfuran-2-yl)-4-[[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 45222645
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole (CID 99844268) is 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole is Cc1nc2ccccc2nc1CN1CCCC[C@@H]1c1nccs1.
What is the InChIKey of 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
The InChIKey is ABHDLQOJBTUHFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N4S/c1-13-16(21-15-7-3-2-6-14(15)20-13)12-22-10-5-4-8-17(22)18-19-9-11-23-18/h2-3,6-7,9,11,17H,4-5,8,10,12H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole?
2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole has a molecular weight of 324.45 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 99844268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).