2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C17H14FN3O2S — CID 24712819

IUPAC2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(COc2ccccc2F)n1
InChIInChI=1S/C17H14FN3O2S/c18-13-5-1-2-6-15(13)23-10-16-21-14(11-24-16)17(22)20-9-12-4-3-7-19-8-12/h1-8,11H,9-10H2,(H,20,22)
InChIKeyVYLAVQGZBYPJQS-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.19
Rot. Bonds6

About 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 24712819) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID24712819
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(COc2ccccc2F)n1
InChIInChI=1S/C17H14FN3O2S/c18-13-5-1-2-6-15(13)23-10-16-21-14(11-24-16)17(22)20-9-12-4-3-7-19-8-12/h1-8,11H,9-10H2,(H,20,22)
InChIKeyVYLAVQGZBYPJQS-UHFFFAOYSA-N
XLogP3.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-Difluorophenyl)-N-{4-[(3s)-Pyrrolidin-3-Yloxy]pyridin-3-Yl}-1,3-Thiazole-4-Carboxamide
CID 71262654
2-(2,6-difluorophenyl)-N-[4-(4-hydroxycyclohexyl)oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262574
2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262581
2-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71262764
N-(4-cyclohexyloxy-3-pyridinyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 118720249
2-phenoxy-1-[(2R)-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 25095157
2-(4-Phenoxyphenyl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide
CID 25096256
IRAK inhibitor 6
CID 44449392
N-[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide
CID 44449393
2-(2,6-difluorophenyl)-N-[4-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262790
2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 71262793
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(3-ethoxy-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217681

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 24712819) is 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccnc1)c1csc(COc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is VYLAVQGZBYPJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c18-13-5-1-2-6-15(13)23-10-16-21-14(11-24-16)17(22)20-9-12-4-3-7-19-8-12/h1-8,11H,9-10H2,(H,20,22).
What are the key properties of 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).