4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide

C24H23F2N3OS — CID 10433314

IUPAC4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(F)cc2)c(CCN2CCC(=Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C24H23F2N3OS/c25-19-6-4-18(5-7-19)22-21(31-24(28-22)23(27)30)10-13-29-11-8-16(9-12-29)14-17-2-1-3-20(26)15-17/h1-7,14-15H,8-13H2,(H2,27,30)
InChIKeyQESXTNJNPLVEOR-UHFFFAOYSA-N
MW439.53 g/mol
LogP4.91
Rot. Bonds6

About 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide

4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 10433314) has the molecular formula C24H23F2N3OS and a molecular weight of 439.53 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
PubChem CID10433314
Molecular FormulaC24H23F2N3OS
Molecular Weight439.53 g/mol
Exact Mass439.15
IUPAC Name4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
SMILESNC(=O)c1nc(-c2ccc(F)cc2)c(CCN2CCC(=Cc3cccc(F)c3)CC2)s1
InChIInChI=1S/C24H23F2N3OS/c25-19-6-4-18(5-7-19)22-21(31-24(28-22)23(27)30)10-13-29-11-8-16(9-12-29)14-17-2-1-3-20(26)15-17/h1-7,14-15H,8-13H2,(H2,27,30)
InChIKeyQESXTNJNPLVEOR-UHFFFAOYSA-N
XLogP4.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide (CID 10433314) is 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide is NC(=O)c1nc(-c2ccc(F)cc2)c(CCN2CCC(=Cc3cccc(F)c3)CC2)s1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is QESXTNJNPLVEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3OS/c25-19-6-4-18(5-7-19)22-21(31-24(28-22)23(27)30)10-13-29-11-8-16(9-12-29)14-17-2-1-3-20(26)15-17/h1-7,14-15H,8-13H2,(H2,27,30).
What are the key properties of 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide?
4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 10433314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).