[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol

C18H21N5OS — CID 97119602

IUPAC[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1
InChIInChI=1S/C18H21N5OS/c24-12-16-13-25-18(21-16)23-8-1-2-15(11-23)17-20-7-9-22(17)10-14-3-5-19-6-4-14/h3-7,9,13,15,24H,1-2,8,10-12H2/t15-/m1/s1
InChIKeyMRZROHAEJIZWAZ-OAHLLOKOSA-N
MW355.47 g/mol
LogP2.66
Rot. Bonds5

About [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol

[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 97119602) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
PubChem CID97119602
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
SMILESOCc1csc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1
InChIInChI=1S/C18H21N5OS/c24-12-16-13-25-18(21-16)23-8-1-2-15(11-23)17-20-7-9-22(17)10-14-3-5-19-6-4-14/h3-7,9,13,15,24H,1-2,8,10-12H2/t15-/m1/s1
InChIKeyMRZROHAEJIZWAZ-OAHLLOKOSA-N
XLogP2.66
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 97285685
2-propan-2-yl-6-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97131130
4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
2,4,5-trimethyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97123365
2-methyl-4-propyl-6-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 97282076
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653
2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 97115819
[2-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 72844723
[2-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 95860685
N,6-dimethyl-2-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72905200
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 97121178

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol (CID 97119602) is [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol is OCc1csc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1.
What is the InChIKey of [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
The InChIKey is MRZROHAEJIZWAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5OS/c24-12-16-13-25-18(21-16)23-8-1-2-15(11-23)17-20-7-9-22(17)10-14-3-5-19-6-4-14/h3-7,9,13,15,24H,1-2,8,10-12H2/t15-/m1/s1.
What are the key properties of [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol?
[2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 355.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 97119602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).