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

C22H28FN3O3S — CID 59338041

IUPAC(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCOc1cc(F)c(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c(OC)c1
InChIInChI=1S/C22H28FN3O3S/c1-14-20(22(27)26-10-8-25(9-11-26)15-6-4-5-7-15)30-21(24-14)19-17(23)12-16(28-2)13-18(19)29-3/h12-13,15H,4-11H2,1-3H3
InChIKeyVNXVMUOCASLJSC-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.98
Rot. Bonds5

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

(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 59338041) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID59338041
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCOc1cc(F)c(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c(OC)c1
InChIInChI=1S/C22H28FN3O3S/c1-14-20(22(27)26-10-8-25(9-11-26)15-6-4-5-7-15)30-21(24-14)19-17(23)12-16(28-2)13-18(19)29-3/h12-13,15H,4-11H2,1-3H3
InChIKeyVNXVMUOCASLJSC-UHFFFAOYSA-N
XLogP3.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(5-piperidin-1-ylazonan-1-yl)methanone
CID 143281713
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
(4-cyclopentylpiperazin-1-yl)-[4-methyl-2-(3-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanone
CID 59337865
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641
[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
[2-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazol-5-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 59338478
[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)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 45341282
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 59338041) is (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is COc1cc(F)c(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)c(OC)c1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is VNXVMUOCASLJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-14-20(22(27)26-10-8-25(9-11-26)15-6-4-5-7-15)30-21(24-14)19-17(23)12-16(28-2)13-18(19)29-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 433.55 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[2-(2-fluoro-4,6-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 59338041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).