(5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate

C18H15FN2O3S — CID 166359883

IUPAC(5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOc1cncc(COC(=O)c2nc(C)sc2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H15FN2O3S/c1-11-21-16(17(25-11)13-3-5-14(19)6-4-13)18(22)24-10-12-7-15(23-2)9-20-8-12/h3-9H,10H2,1-2H3
InChIKeyMKEJSHHQIQUZBJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.02
Rot. Bonds5

About (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate

(5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 166359883) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID166359883
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name(5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOc1cncc(COC(=O)c2nc(C)sc2-c2ccc(F)cc2)c1
InChIInChI=1S/C18H15FN2O3S/c1-11-21-16(17(25-11)13-3-5-14(19)6-4-13)18(22)24-10-12-7-15(23-2)9-20-8-12/h3-9H,10H2,1-2H3
InChIKeyMKEJSHHQIQUZBJ-UHFFFAOYSA-N
XLogP4.02
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Fluorophenyl)-5-(thiazol-5-ylmethoxy)picolinamide
CID 122539741
Ethyl 2-({[(4-fluorophenyl)methyl]({[4-(pyridin-3-ylmethoxy)phenyl]methyl})amino}methyl)-1,3-thiazole-4-carboxylate
CID 57384853
US20230348450, Example 61
CID 162757355
[2-(2-Methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
CID 41986833
Ethyl 2-[[(4-fluorophenyl)methyl-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 67974650
Ethyl 2-[[(4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 57385353
Ethyl 2-[[(4-phenylmethoxyphenyl)methyl-(pyridin-4-ylmethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 57385605
Ethyl 2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 2740541
2-[4-(6-Fluoro-pyridin-3-yl)-phenoxymethyl]-thiazole-4-carboxylic acid
CID 11530019
N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 11960322
(4S)-1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-4-(5-methoxy-2-pyridinyl)pentan-2-one
CID 58255200
2-[4-(1,1-Difluoroethyl)-1,3-thiazol-2-yl]-1-(3-pyridin-3-yloxyphenyl)ethanone
CID 58318785

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 166359883) is (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is COc1cncc(COC(=O)c2nc(C)sc2-c2ccc(F)cc2)c1.
What is the InChIKey of (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is MKEJSHHQIQUZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-11-21-16(17(25-11)13-3-5-14(19)6-4-13)18(22)24-10-12-7-15(23-2)9-20-8-12/h3-9H,10H2,1-2H3.
What are the key properties of (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate?
(5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3-pyridinyl)methyl 5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 166359883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).