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

C18H22FN3OS — CID 164610288

IUPACN-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H22FN3OS/c19-15-8-6-14(7-9-15)18-20-13-17(24-18)21-16(23)5-4-12-22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2,(H,21,23)
InChIKeyBWGYNDZATYUGOT-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.15
Rot. Bonds6

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

N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide (PubChem CID 164610288) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
PubChem CID164610288
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC NameN-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
SMILESO=C(CCCN1CCCCC1)Nc1cnc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H22FN3OS/c19-15-8-6-14(7-9-15)18-20-13-17(24-18)21-16(23)5-4-12-22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2,(H,21,23)
InChIKeyBWGYNDZATYUGOT-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(2,4-Difluorophenyl)thiazol-5-yl)-4-(1,4-oxazepan-4-yl)butanamide
CID 162366982
4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164609998
4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164622247
4-(azepan-1-yl)-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164622624
4-(azepan-1-yl)-N-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164626821
N-(2-fluorophenyl)-3-{1-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-piperidinyl}propanamide
CID 45199120
N-[4-methyl-1-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]piperidin-4-yl]acetamide
CID 134804929
N-[1-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]-4-methylpiperidin-4-yl]acetamide
CID 134809825
4-(azepan-1-yl)-N-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164613417
4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide
CID 164614189
N-[3-(4-fluoropiperidin-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 164622279
2-Phenyl-1,3-thiazol-5-amine
CID 13152222

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide (CID 164610288) is N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide is O=C(CCCN1CCCCC1)Nc1cnc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
The InChIKey is BWGYNDZATYUGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS/c19-15-8-6-14(7-9-15)18-20-13-17(24-18)21-16(23)5-4-12-22-10-2-1-3-11-22/h6-9,13H,1-5,10-12H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide?
N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide has a molecular weight of 347.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 164610288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).