(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide

C17H18FN3O2S — CID 95167865

IUPAC(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C17H18FN3O2S/c18-13-5-3-11(4-6-13)8-15-20-9-14(24-15)17(23)21-7-1-2-12(10-21)16(19)22/h3-6,9,12H,1-2,7-8,10H2,(H2,19,22)/t12-/m0/s1
InChIKeyOJCIVNRGGAZNFC-LBPRGKRZSA-N
MW347.42 g/mol
LogP2.21
Rot. Bonds4

About (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide

(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide (PubChem CID 95167865) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
PubChem CID95167865
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C17H18FN3O2S/c18-13-5-3-11(4-6-13)8-15-20-9-14(24-15)17(23)21-7-1-2-12(10-21)16(19)22/h3-6,9,12H,1-2,7-8,10H2,(H2,19,22)/t12-/m0/s1
InChIKeyOJCIVNRGGAZNFC-LBPRGKRZSA-N
XLogP2.21
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
(3R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 125147777
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124611845
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355806
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 120818932
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124694697
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067
1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide
CID 63724885
(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610795
[1-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 133466002
1-[2-[5-chloro-3-[(4-fluorophenyl)methyl]-1,2,4-triazol-1-yl]acetyl]piperidine-3-carboxamide
CID 167866788

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide (CID 95167865) is (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1.
What is the InChIKey of (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
The InChIKey is OJCIVNRGGAZNFC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c18-13-5-3-11(4-6-13)8-15-20-9-14(24-15)17(23)21-7-1-2-12(10-21)16(19)22/h3-6,9,12H,1-2,7-8,10H2,(H2,19,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide?
(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 95167865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).