5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

C20H22N6S — CID 97283118

IUPAC5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc1C
InChIInChI=1S/C20H22N6S/c1-14-8-17(9-21)20(24-15(14)2)25-6-3-4-16(10-25)19-22-5-7-26(19)11-18-12-27-13-23-18/h5,7-8,12-13,16H,3-4,6,10-11H2,1-2H3/t16-/m0/s1
InChIKeyOKEQDLJETBVXGE-INIZCTEOSA-N
MW378.51 g/mol
LogP3.66
Rot. Bonds4

About 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 97283118) has the molecular formula C20H22N6S and a molecular weight of 378.51 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID97283118
Molecular FormulaC20H22N6S
Molecular Weight378.51 g/mol
Exact Mass378.16
IUPAC Name5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(C#N)c(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc1C
InChIInChI=1S/C20H22N6S/c1-14-8-17(9-21)20(24-15(14)2)25-6-3-4-16(10-25)19-22-5-7-26(19)11-18-12-27-13-23-18/h5,7-8,12-13,16H,3-4,6,10-11H2,1-2H3/t16-/m0/s1
InChIKeyOKEQDLJETBVXGE-INIZCTEOSA-N
XLogP3.66
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-[[2-[1-(3-methoxypyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72861840
4-[[2-[(3S)-1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282594
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97281823
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72849518
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 97202523
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72905841
3-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]benzonitrile
CID 97275163

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 97283118) is 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is Cc1cc(C#N)c(N2CCC[C@H](c3nccn3Cc3cscn3)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is OKEQDLJETBVXGE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N6S/c1-14-8-17(9-21)20(24-15(14)2)25-6-3-4-16(10-25)19-22-5-7-26(19)11-18-12-27-13-23-18/h5,7-8,12-13,16H,3-4,6,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 378.51 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97283118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).