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

C23H24FN3OS — CID 69170472

IUPAC(4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Cc2csc(N3CCN(C(=O)c4ccc(F)cc4)C(C)C3)n2)cc1
InChIInChI=1S/C23H24FN3OS/c1-16-3-5-18(6-4-16)13-21-15-29-23(25-21)26-11-12-27(17(2)14-26)22(28)19-7-9-20(24)10-8-19/h3-10,15,17H,11-14H2,1-2H3
InChIKeyCELWKQPNCKITLK-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.53
Rot. Bonds4

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

(4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 69170472) has the molecular formula C23H24FN3OS and a molecular weight of 409.53 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID69170472
Molecular FormulaC23H24FN3OS
Molecular Weight409.53 g/mol
Exact Mass409.16
IUPAC Name(4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(Cc2csc(N3CCN(C(=O)c4ccc(F)cc4)C(C)C3)n2)cc1
InChIInChI=1S/C23H24FN3OS/c1-16-3-5-18(6-4-16)13-21-15-29-23(25-21)26-11-12-27(17(2)14-26)22(28)19-7-9-20(24)10-8-19/h3-10,15,17H,11-14H2,1-2H3
InChIKeyCELWKQPNCKITLK-UHFFFAOYSA-N
XLogP4.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 69170472) is (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is Cc1ccc(Cc2csc(N3CCN(C(=O)c4ccc(F)cc4)C(C)C3)n2)cc1.
What is the InChIKey of (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is CELWKQPNCKITLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3OS/c1-16-3-5-18(6-4-16)13-21-15-29-23(25-21)26-11-12-27(17(2)14-26)22(28)19-7-9-20(24)10-8-19/h3-10,15,17H,11-14H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 409.53 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-methyl-4-[4-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 69170472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).