[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone

C26H36FN3O3S — CID 143281713

IUPAC[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone
SMILESCOc1cc(F)c(-c2nc(C)c(C(=O)N3CCCCC(N4CCCCC4)CCC3)s2)c(OC)c1
InChIInChI=1S/C26H36FN3O3S/c1-18-24(34-25(28-18)23-21(27)16-20(32-2)17-22(23)33-3)26(31)30-14-8-5-10-19(11-9-15-30)29-12-6-4-7-13-29/h16-17,19H,4-15H2,1-3H3
InChIKeyIWFQMPGKGBLOIS-UHFFFAOYSA-N
MW489.66 g/mol
LogP5.54
Rot. Bonds5

About [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone

[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone (PubChem CID 143281713) has the molecular formula C26H36FN3O3S and a molecular weight of 489.66 g/mol. Its IUPAC name is [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone
PubChem CID143281713
Molecular FormulaC26H36FN3O3S
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC Name[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone
SMILESCOc1cc(F)c(-c2nc(C)c(C(=O)N3CCCCC(N4CCCCC4)CCC3)s2)c(OC)c1
InChIInChI=1S/C26H36FN3O3S/c1-18-24(34-25(28-18)23-21(27)16-20(32-2)17-22(23)33-3)26(31)30-14-8-5-10-19(11-9-15-30)29-12-6-4-7-13-29/h16-17,19H,4-15H2,1-3H3
InChIKeyIWFQMPGKGBLOIS-UHFFFAOYSA-N
XLogP5.54
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338041
[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338601
[2-(4-methoxy-2-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338584
[4-(azepan-1-yl)piperidin-1-yl]-[4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazol-5-yl]methanone
CID 59338791
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59338445
(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
CID 59337865
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
[4-(azepan-1-yl)piperidin-1-yl]-[2-(2-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338537
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
[4-methyl-2-(2-propan-2-ylphenyl)-1,3-thiazol-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 59337859
1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 45341282

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone?
The IUPAC name of [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone (CID 143281713) is [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone.
What is the SMILES notation for [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone?
The canonical SMILES for [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone is COc1cc(F)c(-c2nc(C)c(C(=O)N3CCCCC(N4CCCCC4)CCC3)s2)c(OC)c1.
What is the InChIKey of [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone?
The InChIKey is IWFQMPGKGBLOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O3S/c1-18-24(34-25(28-18)23-21(27)16-20(32-2)17-22(23)33-3)26(31)30-14-8-5-10-19(11-9-15-30)29-12-6-4-7-13-29/h16-17,19H,4-15H2,1-3H3.
What are the key properties of [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone?
[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone has a molecular weight of 489.66 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone is sourced from PubChem (CID 143281713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).