4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile

C15H13FN2OS — CID 82437164

IUPAC4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(CCOc2ccccc2F)nc1C1CC1
InChIInChI=1S/C15H13FN2OS/c16-11-3-1-2-4-12(11)19-8-7-14-18-15(10-5-6-10)13(9-17)20-14/h1-4,10H,5-8H2
InChIKeyJSIFPJXIYDQSGP-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.65
Rot. Bonds5

About 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile

4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile (PubChem CID 82437164) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
PubChem CID82437164
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC Name4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(CCOc2ccccc2F)nc1C1CC1
InChIInChI=1S/C15H13FN2OS/c16-11-3-1-2-4-12(11)19-8-7-14-18-15(10-5-6-10)13(9-17)20-14/h1-4,10H,5-8H2
InChIKeyJSIFPJXIYDQSGP-UHFFFAOYSA-N
XLogP3.65
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methanethiol
CID 82437168
4-cyclopropyl-2-[(2-ethoxyphenoxy)methyl]-1,3-thiazole-5-carbonitrile
CID 82436650
4-methyl-2-[2-(2-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbonitrile
CID 82426776
4-cyclopropyl-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-5-carbonitrile
CID 82436117
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437863
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437848
4-amino-2-[2-(2-fluorophenoxy)ethyl]pyrimidine-5-carbonitrile
CID 82168405
1-[4-ethyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429862
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
N-[[2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82423969
2-[4-cyclopropyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82436107

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile (CID 82437164) is 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile is N#Cc1sc(CCOc2ccccc2F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
The InChIKey is JSIFPJXIYDQSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c16-11-3-1-2-4-12(11)19-8-7-14-18-15(10-5-6-10)13(9-17)20-14/h1-4,10H,5-8H2.
What are the key properties of 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile?
4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(2-fluorophenoxy)ethyl]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 82437164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).