5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

C18H20FN5S — CID 53192329

IUPAC5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(c2nc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C18H20FN5S/c1-12-16(25-11-20-12)10-24-8-6-14(7-9-24)18-21-17(22-23-18)13-2-4-15(19)5-3-13/h2-5,11,14H,6-10H2,1H3,(H,21,22,23)
InChIKeyRCGLKXMDDYURNN-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.76
Rot. Bonds4

About 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 53192329) has the molecular formula C18H20FN5S and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID53192329
Molecular FormulaC18H20FN5S
Molecular Weight357.46 g/mol
Exact Mass357.14
IUPAC Name5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CN1CCC(c2nc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C18H20FN5S/c1-12-16(25-11-20-12)10-24-8-6-14(7-9-24)18-21-17(22-23-18)13-2-4-15(19)5-3-13/h2-5,11,14H,6-10H2,1H3,(H,21,22,23)
InChIKeyRCGLKXMDDYURNN-UHFFFAOYSA-N
XLogP3.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

4-[[4-(2-fluorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2573156
4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(methylsulfanyl)-4H-1,2,4-triazole
CID 1478785
(E)-5-(4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)-4-methylthiazol-2-amine
CID 5738848
allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide
CID 3535025
5-({3-[5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-YL]piperidino}methyl)-4-methyl-1,3-thiazole
CID 53192112
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53579583
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53600149
4-{[1-benzyl-5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazol-3-yl]methyl}-1-methylpiperidine
CID 72924343
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole hydrochloride
CID 122163656
4-methyl-5-(4-methyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,3-thiazol-2-amine
CID 5742237
4-methyl-5-[[3-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53192077
4-methyl-5-[[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53192086

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 53192329) is 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1ncsc1CN1CCC(c2nc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is RCGLKXMDDYURNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5S/c1-12-16(25-11-20-12)10-24-8-6-14(7-9-24)18-21-17(22-23-18)13-2-4-15(19)5-3-13/h2-5,11,14H,6-10H2,1H3,(H,21,22,23).
What are the key properties of 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 357.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 53192329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).