4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole

C17H18FN5S — CID 72901239

IUPAC4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESFc1cnccc1N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C17H18FN5S/c18-15-8-19-4-3-16(15)22-6-1-2-13(9-22)17-20-5-7-23(17)10-14-11-24-12-21-14/h3-5,7-8,11-13H,1-2,6,9-10H2
InChIKeyVAHQCWHJRZEEIP-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.31
Rot. Bonds4

About 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole

4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 72901239) has the molecular formula C17H18FN5S and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID72901239
Molecular FormulaC17H18FN5S
Molecular Weight343.43 g/mol
Exact Mass343.13
IUPAC Name4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
SMILESFc1cnccc1N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C17H18FN5S/c18-15-8-19-4-3-16(15)22-6-1-2-13(9-22)17-20-5-7-23(17)10-14-11-24-12-21-14/h3-5,7-8,11-13H,1-2,6,9-10H2
InChIKeyVAHQCWHJRZEEIP-UHFFFAOYSA-N
XLogP3.31
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

4-[[2-[(3S)-1-pyridin-4-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97202045
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412
4-[[2-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97284684
4-[[2-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 97282493
2-methoxy-4-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 97281823
N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943
4-[[2-[1-(3-methoxypyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole
CID 72861840
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
2-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,3-benzothiazole
CID 97280397
2-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 72849518
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97272135

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole (CID 72901239) is 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is Fc1cnccc1N1CCCC(c2nccn2Cc2cscn2)C1.
What is the InChIKey of 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is VAHQCWHJRZEEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5S/c18-15-8-19-4-3-16(15)22-6-1-2-13(9-22)17-20-5-7-23(17)10-14-11-24-12-21-14/h3-5,7-8,11-13H,1-2,6,9-10H2.
What are the key properties of 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole?
4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 343.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(3-fluoro-4-pyridinyl)piperidin-3-yl]imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 72901239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).