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

C18H16FN3OS — CID 95977103

IUPAC2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN3OS/c1-12(13-7-9-20-10-8-13)22(2)18(23)16-11-24-17(21-16)14-5-3-4-6-15(14)19/h3-12H,1-2H3/t12-/m1/s1
InChIKeyYAKJICCGCJBCDM-GFCCVEGCSA-N
MW341.41 g/mol
LogP4.18
Rot. Bonds4

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

2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 95977103) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
PubChem CID95977103
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccccc2F)n1
InChIInChI=1S/C18H16FN3OS/c1-12(13-7-9-20-10-8-13)22(2)18(23)16-11-24-17(21-16)14-5-3-4-6-15(14)19/h3-12H,1-2H3/t12-/m1/s1
InChIKeyYAKJICCGCJBCDM-GFCCVEGCSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 86921719
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 55437304
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
N-methyl-N-[(1R)-1-pyrimidin-4-ylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 96579417
N-methyl-2-phenyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 26817104
2-(4-chlorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 42923069
2-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66376296
N-(3-amino-2,2-dimethylpropyl)-2-(2-fluorophenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 119656374
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 146088120
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 56512666
2-[2-[(3,4-difluorophenyl)methoxy]phenyl]-N-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46068237

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide (CID 95977103) is 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide is C[C@H](c1ccncc1)N(C)C(=O)c1csc(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YAKJICCGCJBCDM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12(13-7-9-20-10-8-13)22(2)18(23)16-11-24-17(21-16)14-5-3-4-6-15(14)19/h3-12H,1-2H3/t12-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide?
2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95977103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).