(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile

C14H9F3N2OS — CID 74766246

IUPAC(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile
SMILESCc1csc(/C(C#N)=C\c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H9F3N2OS/c1-9-8-21-13(19-9)11(7-18)6-10-4-2-3-5-12(10)20-14(15,16)17/h2-6,8H,1H3/b11-6-
InChIKeyGYMYEVPXAQEIFJ-WDZFZDKYSA-N
MW310.30 g/mol
LogP4.41
Rot. Bonds3

About (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile

(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile (PubChem CID 74766246) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile
PubChem CID74766246
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile
SMILESCc1csc(/C(C#N)=C\c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C14H9F3N2OS/c1-9-8-21-13(19-9)11(7-18)6-10-4-2-3-5-12(10)20-14(15,16)17/h2-6,8H,1H3/b11-6-
InChIKeyGYMYEVPXAQEIFJ-WDZFZDKYSA-N
XLogP4.41
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

4-(3-Methoxyphenylethynyl)-2-methylthiazole
CID 11564861
Thiazole, 4-(2-(2-methoxyphenyl)ethynyl)-2-methyl-
CID 11665793
2-(Fluoromethyl)4-(2-(3-methoxyphenyl)ethynyl)thiazole
CID 16737209
2-Fluoro-4-((3-methoxyphenyl)ethynyl)thiazole
CID 51050259
2-Methyl-4-[[3-(trifluoromethoxy)phenyl]ethynyl]thiazole
CID 11616166
3-(2,5-Dimethoxy-phenyl)-2-[4-(4-fluoro-phenyl)-thiazol-2-yl]-acrylonitrile
CID 5291817
(4-(4-Methoxyphenyl)-1,3-thiazol-2-YL)acetonitrile
CID 2337310
(2E)-3-(3-Fluorophenyl)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-YL]prop-2-enenitrile
CID 5720372
(E)-3-[2-(difluoromethoxy)phenyl]-2-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
CID 6182005
2-Methyl-4-(2''-(trifluoromethoxy)biphenyl-3-yl)thiazole
CID 11267659
Cambridge id 5321194
CID 5290335
4-[4-(Difluoromethoxy)phenyl]-2-methyl-1,3-thiazole
CID 2742356

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile (CID 74766246) is (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile is Cc1csc(/C(C#N)=C\c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile?
The InChIKey is GYMYEVPXAQEIFJ-WDZFZDKYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c1-9-8-21-13(19-9)11(7-18)6-10-4-2-3-5-12(10)20-14(15,16)17/h2-6,8H,1H3/b11-6-.
What are the key properties of (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile?
(Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile has a molecular weight of 310.30 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methyl-1,3-thiazol-2-yl)-3-[2-(trifluoromethoxy)phenyl]prop-2-enenitrile is sourced from PubChem (CID 74766246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).