[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C16H15FN2OS — CID 86849606

IUPAC[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C16H15FN2OS/c1-11-18-15(10-21-11)16(20)19-8-6-13(7-9-19)12-2-4-14(17)5-3-12/h2-6,10H,7-9H2,1H3
InChIKeyZWVBXCMHIUQRDX-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.52
Rot. Bonds2

About [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 86849606) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID86849606
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C16H15FN2OS/c1-11-18-15(10-21-11)16(20)19-8-6-13(7-9-19)12-2-4-14(17)5-3-12/h2-6,10H,7-9H2,1H3
InChIKeyZWVBXCMHIUQRDX-UHFFFAOYSA-N
XLogP3.52
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 155919355
[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126892840
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24672333
[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 48593711
[3-fluoro-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 166604523
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 86880058
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38299335
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097680

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 86849606) is [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CC=C(c3ccc(F)cc3)CC2)cs1.
What is the InChIKey of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZWVBXCMHIUQRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-11-18-15(10-21-11)16(20)19-8-6-13(7-9-19)12-2-4-14(17)5-3-12/h2-6,10H,7-9H2,1H3.
What are the key properties of [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 302.37 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 86849606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).