2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

C14H13FN2OS — CID 103097298

IUPAC2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCOc1cccc(F)c1-c1csc(C(C)(C)C#N)n1
InChIInChI=1S/C14H13FN2OS/c1-14(2,8-16)13-17-10(7-19-13)12-9(15)5-4-6-11(12)18-3/h4-7H,1-3H3
InChIKeyNSSMLGKZVPLEPM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.76
Rot. Bonds3

About 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile

2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (PubChem CID 103097298) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
PubChem CID103097298
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC Name2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
SMILESCOc1cccc(F)c1-c1csc(C(C)(C)C#N)n1
InChIInChI=1S/C14H13FN2OS/c1-14(2,8-16)13-17-10(7-19-13)12-9(15)5-4-6-11(12)18-3/h4-7H,1-3H3
InChIKeyNSSMLGKZVPLEPM-UHFFFAOYSA-N
XLogP3.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 168988816
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
CID 103097257
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163
methyl 2-cyano-2-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetate
CID 54303231
2-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865218
2-[4-(5-bromo-2-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865217
2-methyl-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanenitrile
CID 103097271
3-(2-fluoro-6-methoxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 115389344
amino-[6-(2-fluoro-6-methoxyphenyl)-2-pyridinyl]methanol
CID 170082323
2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
CID 169418540
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-(2-fluoro-6-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 113428315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile (CID 103097298) is 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is COc1cccc(F)c1-c1csc(C(C)(C)C#N)n1.
What is the InChIKey of 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
The InChIKey is NSSMLGKZVPLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c1-14(2,8-16)13-17-10(7-19-13)12-9(15)5-4-6-11(12)18-3/h4-7H,1-3H3.
What are the key properties of 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile?
2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile has a molecular weight of 276.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanenitrile is sourced from PubChem (CID 103097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).