2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

C19H20N6OS — CID 97281823

IUPAC2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1C#N
InChIInChI=1S/C19H20N6OS/c1-26-19-16(9-20)17(4-5-22-19)24-7-2-3-14(10-24)18-21-6-8-25(18)11-15-12-27-13-23-15/h4-6,8,12-14H,2-3,7,10-11H2,1H3/t14-/m1/s1
InChIKeyVQKUYOKSLZQVHD-CQSZACIVSA-N
MW380.48 g/mol
LogP3.05
Rot. Bonds5

About 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile

2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 97281823) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID97281823
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
SMILESCOc1nccc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1C#N
InChIInChI=1S/C19H20N6OS/c1-26-19-16(9-20)17(4-5-22-19)24-7-2-3-14(10-24)18-21-6-8-25(18)11-15-12-27-13-23-15/h4-6,8,12-14H,2-3,7,10-11H2,1H3/t14-/m1/s1
InChIKeyVQKUYOKSLZQVHD-CQSZACIVSA-N
XLogP3.05
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methoxy-4-[(3R)-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-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72901239
5,6-dimethyl-2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97283118
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72849518
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-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
CID 97280397
4-[[2-[(3S)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97280833
5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 97285252
2-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 97202523

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile (CID 97281823) is 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is COc1nccc(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1C#N.
What is the InChIKey of 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VQKUYOKSLZQVHD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-26-19-16(9-20)17(4-5-22-19)24-7-2-3-14(10-24)18-21-6-8-25(18)11-15-12-27-13-23-15/h4-6,8,12-14H,2-3,7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile?
2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 380.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97281823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).