2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide

C18H16FN3OS — CID 95312976

IUPAC2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1cccnc1
InChIInChI=1S/C18H16FN3OS/c1-12(14-3-2-8-20-10-14)22-18(23)16-11-21-17(24-16)9-13-4-6-15(19)7-5-13/h2-8,10-12H,9H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyUWVYQHLUCWYUBL-GFCCVEGCSA-N
MW341.41 g/mol
LogP3.76
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide

2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 95312976) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
PubChem CID95312976
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1cccnc1
InChIInChI=1S/C18H16FN3OS/c1-12(14-3-2-8-20-10-14)22-18(23)16-11-21-17(24-16)9-13-4-6-15(19)7-5-13/h2-8,10-12H,9H2,1H3,(H,22,23)/t12-/m1/s1
InChIKeyUWVYQHLUCWYUBL-GFCCVEGCSA-N
XLogP3.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-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

4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
CID 18168796
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037033
4-amino-3-fluoro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 81404468

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide (CID 95312976) is 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cnc(Cc2ccc(F)cc2)s1)c1cccnc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UWVYQHLUCWYUBL-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12(14-3-2-8-20-10-14)22-18(23)16-11-21-17(24-16)9-13-4-6-15(19)7-5-13/h2-8,10-12H,9H2,1H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95312976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).