[4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate

C18H14F2N2O3S — CID 91153232

IUPAC[4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate
SMILESCOCc1csc(OC(=O)c2cc(-c3cc(F)cc(F)c3)cc(C)n2)n1
InChIInChI=1S/C18H14F2N2O3S/c1-10-3-11(12-4-13(19)7-14(20)5-12)6-16(21-10)17(23)25-18-22-15(8-24-2)9-26-18/h3-7,9H,8H2,1-2H3
InChIKeyROYVCIVFCJMQDN-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.16
Rot. Bonds5

About [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate

[4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate (PubChem CID 91153232) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate.

Molecular Properties

Compound Name[4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate
PubChem CID91153232
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name[4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate
SMILESCOCc1csc(OC(=O)c2cc(-c3cc(F)cc(F)c3)cc(C)n2)n1
InChIInChI=1S/C18H14F2N2O3S/c1-10-3-11(12-4-13(19)7-14(20)5-12)6-16(21-10)17(23)25-18-22-15(8-24-2)9-26-18/h3-7,9H,8H2,1-2H3
InChIKeyROYVCIVFCJMQDN-UHFFFAOYSA-N
XLogP4.16
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate?
The IUPAC name of [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate (CID 91153232) is [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate.
What is the SMILES notation for [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate?
The canonical SMILES for [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate is COCc1csc(OC(=O)c2cc(-c3cc(F)cc(F)c3)cc(C)n2)n1.
What is the InChIKey of [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate?
The InChIKey is ROYVCIVFCJMQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c1-10-3-11(12-4-13(19)7-14(20)5-12)6-16(21-10)17(23)25-18-22-15(8-24-2)9-26-18/h3-7,9H,8H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate?
[4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-1,3-thiazol-2-yl] 4-(3,5-difluorophenyl)-6-methylpyridine-2-carboxylate is sourced from PubChem (CID 91153232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).