[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone

C23H24N4OS — CID 174853962

IUPAC[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1
InChIInChI=1S/C23H24N4OS/c28-23(22-25-10-13-29-22)26-11-7-18(8-12-26)17-3-5-21(6-4-17)27-15-20(16-27)19-2-1-9-24-14-19/h1-6,9-10,13-14,18,20H,7-8,11-12,15-16H2
InChIKeyBAUURTFJBZFIHX-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.16
Rot. Bonds4

About [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone

[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 174853962) has the molecular formula C23H24N4OS and a molecular weight of 404.54 g/mol. Its IUPAC name is [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID174853962
Molecular FormulaC23H24N4OS
Molecular Weight404.54 g/mol
Exact Mass404.17
IUPAC Name[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1
InChIInChI=1S/C23H24N4OS/c28-23(22-25-10-13-29-22)26-11-7-18(8-12-26)17-3-5-21(6-4-17)27-15-20(16-27)19-2-1-9-24-14-19/h1-6,9-10,13-14,18,20H,7-8,11-12,15-16H2
InChIKeyBAUURTFJBZFIHX-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]propan-1-one
CID 174853959
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
2-amino-1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 82127506
(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
(4-iodophenyl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 96537371
3-hydroxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 22126635
(4-methylpiperazin-1-yl)-(1,3-thiazol-2-yl)methanone
CID 110695913
N-[4-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]phenyl]-3-pyridin-3-ylazetidine-1-carboxamide
CID 90011465
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
[1-(1,3-thiazole-2-carbonyl)pyrrolidin-3-yl]carbamic acid
CID 67289625
(E)-1-(3-phenylpyrrolidin-1-yl)-3-(1,3-thiazol-2-yl)prop-2-en-1-one
CID 134337680

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 174853962) is [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)N1CCC(c2ccc(N3CC(c4cccnc4)C3)cc2)CC1.
What is the InChIKey of [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is BAUURTFJBZFIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS/c28-23(22-25-10-13-29-22)26-11-7-18(8-12-26)17-3-5-21(6-4-17)27-15-20(16-27)19-2-1-9-24-14-19/h1-6,9-10,13-14,18,20H,7-8,11-12,15-16H2.
What are the key properties of [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
[4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 404.54 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-pyridin-3-ylazetidin-1-yl)phenyl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 174853962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).