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

C18H22FN3OS — CID 89406461

IUPACN-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCCCC2)s1
InChIInChI=1S/C18H22FN3OS/c1-12(2)16(23)21-18-20-15(13-6-8-14(19)9-7-13)17(24-18)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,21,23)
InChIKeyGXSKLJNEPZUDEL-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.53
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 89406461) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID89406461
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCCCC2)s1
InChIInChI=1S/C18H22FN3OS/c1-12(2)16(23)21-18-20-15(13-6-8-14(19)9-7-13)17(24-18)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,21,23)
InChIKeyGXSKLJNEPZUDEL-UHFFFAOYSA-N
XLogP4.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide (CID 89406461) is N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(N2CCCCC2)s1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is GXSKLJNEPZUDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-12(2)16(23)21-18-20-15(13-6-8-14(19)9-7-13)17(24-18)22-10-4-3-5-11-22/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,21,23).
What are the key properties of N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 347.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-piperidin-1-yl-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 89406461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).