[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone

C23H24FN3O3S — CID 72737407

IUPAC[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3sc(C)nc3-c3ccccc3F)CC2)c1
InChIInChI=1S/C23H24FN3O3S/c1-15-25-21(19-6-4-5-7-20(19)24)22(31-15)23(28)27-10-8-26(9-11-27)16-12-17(29-2)14-18(13-16)30-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyCPGVZXWXTLODSD-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.24
Rot. Bonds5

About [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone

[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 72737407) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone
PubChem CID72737407
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone
SMILESCOc1cc(OC)cc(N2CCN(C(=O)c3sc(C)nc3-c3ccccc3F)CC2)c1
InChIInChI=1S/C23H24FN3O3S/c1-15-25-21(19-6-4-5-7-20(19)24)22(31-15)23(28)27-10-8-26(9-11-27)16-12-17(29-2)14-18(13-16)30-3/h4-7,12-14H,8-11H2,1-3H3
InChIKeyCPGVZXWXTLODSD-UHFFFAOYSA-N
XLogP4.24
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone (CID 72737407) is [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone is COc1cc(OC)cc(N2CCN(C(=O)c3sc(C)nc3-c3ccccc3F)CC2)c1.
What is the InChIKey of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is CPGVZXWXTLODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-15-25-21(19-6-4-5-7-20(19)24)22(31-15)23(28)27-10-8-26(9-11-27)16-12-17(29-2)14-18(13-16)30-3/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone?
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 441.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyphenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 72737407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).