N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide

C24H22F2N4OS2 — CID 118618429

IUPACN-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2s1
InChIInChI=1S/C24H22F2N4OS2/c25-16-3-1-15(2-4-16)14-30-11-9-19(10-12-30)28-24-29-23-21(33-24)13-20(32-23)22(31)27-18-7-5-17(26)6-8-18/h1-8,13,19H,9-12,14H2,(H,27,31)(H,28,29)
InChIKeyHAHNEJWUPKSXBO-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.96
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide

N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618429) has the molecular formula C24H22F2N4OS2 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618429
Molecular FormulaC24H22F2N4OS2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC NameN-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2s1
InChIInChI=1S/C24H22F2N4OS2/c25-16-3-1-15(2-4-16)14-30-11-9-19(10-12-30)28-24-29-23-21(33-24)13-20(32-23)22(31)27-18-7-5-17(26)6-8-18/h1-8,13,19H,9-12,14H2,(H,27,31)(H,28,29)
InChIKeyHAHNEJWUPKSXBO-UHFFFAOYSA-N
XLogP5.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618429) is N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)cc1)c1cc2sc(NC3CCN(Cc4ccc(F)cc4)CC3)nc2s1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is HAHNEJWUPKSXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4OS2/c25-16-3-1-15(2-4-16)14-30-11-9-19(10-12-30)28-24-29-23-21(33-24)13-20(32-23)22(31)27-18-7-5-17(26)6-8-18/h1-8,13,19H,9-12,14H2,(H,27,31)(H,28,29).
What are the key properties of N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 5.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]amino]thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).