N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide

C14H16FN3OS — CID 118765250

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
SMILESCCC(NC(=O)c1cncc(F)c1)c1nc(C)c(C)s1
InChIInChI=1S/C14H16FN3OS/c1-4-12(14-17-8(2)9(3)20-14)18-13(19)10-5-11(15)7-16-6-10/h5-7,12H,4H2,1-3H3,(H,18,19)
InChIKeyHHJGEPBORAOPBN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide (PubChem CID 118765250) has the molecular formula C14H16FN3OS and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
PubChem CID118765250
Molecular FormulaC14H16FN3OS
Molecular Weight293.37 g/mol
Exact Mass293.10
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide
SMILESCCC(NC(=O)c1cncc(F)c1)c1nc(C)c(C)s1
InChIInChI=1S/C14H16FN3OS/c1-4-12(14-17-8(2)9(3)20-14)18-13(19)10-5-11(15)7-16-6-10/h5-7,12H,4H2,1-3H3,(H,18,19)
InChIKeyHHJGEPBORAOPBN-UHFFFAOYSA-N
XLogP3.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-ethylpyrimidine-5-carboxamide
CID 72930807
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-methylimidazole-4-carboxamide
CID 118775956
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
N-[(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-2-(methylamino)acetamide
CID 95509635
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,3-benzodioxole-5-carboxamide
CID 91766476
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 125161813
2-amino-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118763339
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(oxan-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176503974
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91778058
N-(1-bromo-3-methylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 104786627

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide (CID 118765250) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide is CCC(NC(=O)c1cncc(F)c1)c1nc(C)c(C)s1.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is HHJGEPBORAOPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS/c1-4-12(14-17-8(2)9(3)20-14)18-13(19)10-5-11(15)7-16-6-10/h5-7,12H,4H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 118765250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).