N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C21H16FN5O2S — CID 55880821

IUPACN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H16FN5O2S/c1-13-18(30-21(27-13)19-23-9-2-10-24-19)20(28)26-12-14-3-8-17(25-11-14)29-16-6-4-15(22)5-7-16/h2-11H,12H2,1H3,(H,26,28)
InChIKeyWBDFPCCFURHGCM-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.16
Rot. Bonds6

About N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55880821) has the molecular formula C21H16FN5O2S and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55880821
Molecular FormulaC21H16FN5O2S
Molecular Weight421.46 g/mol
Exact Mass421.10
IUPAC NameN-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H16FN5O2S/c1-13-18(30-21(27-13)19-23-9-2-10-24-19)20(28)26-12-14-3-8-17(25-11-14)29-16-6-4-15(22)5-7-16/h2-11H,12H2,1H3,(H,26,28)
InChIKeyWBDFPCCFURHGCM-UHFFFAOYSA-N
XLogP4.16
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 55880821) is N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WBDFPCCFURHGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c1-13-18(30-21(27-13)19-23-9-2-10-24-19)20(28)26-12-14-3-8-17(25-11-14)29-16-6-4-15(22)5-7-16/h2-11H,12H2,1H3,(H,26,28).
What are the key properties of N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55880821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).