N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide

C24H29FN4OS2 — CID 14426430

IUPACN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2scnc2C)CC1
InChIInChI=1S/C24H29FN4OS2/c1-4-22(30)29(20-8-6-5-7-19(20)25)24(23-27-17(2)15-31-23)10-13-28(14-11-24)12-9-21-18(3)26-16-32-21/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyHXWJKAXBLCHADB-UHFFFAOYSA-N
MW472.66 g/mol
LogP5.33
Rot. Bonds7

About N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide

N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide (PubChem CID 14426430) has the molecular formula C24H29FN4OS2 and a molecular weight of 472.66 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide
PubChem CID14426430
Molecular FormulaC24H29FN4OS2
Molecular Weight472.66 g/mol
Exact Mass472.18
IUPAC NameN-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2scnc2C)CC1
InChIInChI=1S/C24H29FN4OS2/c1-4-22(30)29(20-8-6-5-7-19(20)25)24(23-27-17(2)15-31-23)10-13-28(14-11-24)12-9-21-18(3)26-16-32-21/h5-8,15-16H,4,9-14H2,1-3H3
InChIKeyHXWJKAXBLCHADB-UHFFFAOYSA-N
XLogP5.33
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.66
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide (CID 14426430) is N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide is CCC(=O)N(c1ccccc1F)C1(c2nc(C)cs2)CCN(CCc2scnc2C)CC1.
What is the InChIKey of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide?
The InChIKey is HXWJKAXBLCHADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4OS2/c1-4-22(30)29(20-8-6-5-7-19(20)25)24(23-27-17(2)15-31-23)10-13-28(14-11-24)12-9-21-18(3)26-16-32-21/h5-8,15-16H,4,9-14H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide?
N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide has a molecular weight of 472.66 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 14426430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).