4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile

C19H18FN3OS — CID 135844976

IUPAC4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile
SMILESCOc1cc(F)ccc1C1C(C#N)=C(C)NC(C)=C1c1nc(C)cs1
InChIInChI=1S/C19H18FN3OS/c1-10-9-25-19(22-10)17-12(3)23-11(2)15(8-21)18(17)14-6-5-13(20)7-16(14)24-4/h5-7,9,18,23H,1-4H3
InChIKeyYNKHLBUZWPYGMI-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.51
Rot. Bonds3

About 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile

4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile (PubChem CID 135844976) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile
PubChem CID135844976
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile
SMILESCOc1cc(F)ccc1C1C(C#N)=C(C)NC(C)=C1c1nc(C)cs1
InChIInChI=1S/C19H18FN3OS/c1-10-9-25-19(22-10)17-12(3)23-11(2)15(8-21)18(17)14-6-5-13(20)7-16(14)24-4/h5-7,9,18,23H,1-4H3
InChIKeyYNKHLBUZWPYGMI-UHFFFAOYSA-N
XLogP4.51
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile (CID 135844976) is 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile is COc1cc(F)ccc1C1C(C#N)=C(C)NC(C)=C1c1nc(C)cs1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile?
The InChIKey is YNKHLBUZWPYGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-10-9-25-19(22-10)17-12(3)23-11(2)15(8-21)18(17)14-6-5-13(20)7-16(14)24-4/h5-7,9,18,23H,1-4H3.
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile?
4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile has a molecular weight of 355.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-5-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 135844976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).