ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate

C19H20N2O2S — CID 155554996

IUPACethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCCC2)sc1-c1ccc(C#N)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-19(22)16-17(14-10-8-13(12-20)9-11-14)24-18(21-16)15-6-4-3-5-7-15/h8-11,15H,2-7H2,1H3
InChIKeyGBTSVPXKAKDKQS-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.91
Rot. Bonds4

About ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate

ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate (PubChem CID 155554996) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate
PubChem CID155554996
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Nameethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCCC2)sc1-c1ccc(C#N)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-23-19(22)16-17(14-10-8-13(12-20)9-11-14)24-18(21-16)15-6-4-3-5-7-15/h8-11,15H,2-7H2,1H3
InChIKeyGBTSVPXKAKDKQS-UHFFFAOYSA-N
XLogP4.91
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate (CID 155554996) is ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CCCCC2)sc1-c1ccc(C#N)cc1.
What is the InChIKey of ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate?
The InChIKey is GBTSVPXKAKDKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-23-19(22)16-17(14-10-8-13(12-20)9-11-14)24-18(21-16)15-6-4-3-5-7-15/h8-11,15H,2-7H2,1H3.
What are the key properties of ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate?
ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-cyanophenyl)-2-cyclohexyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155554996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).