N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide

C18H22N2OS — CID 110441727

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)C1CCCCC1
InChIInChI=1S/C18H22N2OS/c21-18(15-9-5-2-6-10-15)19-12-11-17-20-16(13-22-17)14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,19,21)
InChIKeyVIMAXRYPXJSCPO-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.05
Rot. Bonds5

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide (PubChem CID 110441727) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide
PubChem CID110441727
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)C1CCCCC1
InChIInChI=1S/C18H22N2OS/c21-18(15-9-5-2-6-10-15)19-12-11-17-20-16(13-22-17)14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,19,21)
InChIKeyVIMAXRYPXJSCPO-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide (CID 110441727) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide is O=C(NCCc1nc(-c2ccccc2)cs1)C1CCCCC1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is VIMAXRYPXJSCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-18(15-9-5-2-6-10-15)19-12-11-17-20-16(13-22-17)14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,19,21).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 314.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 110441727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).