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

C18H22N2OS — CID 22583820

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C18H22N2OS/c21-17(14-7-3-1-4-8-14)19-12-11-16-13-22-18(20-16)15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,21)
InChIKeySILNBOCIGGIDPD-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.05
Rot. Bonds5

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide (PubChem CID 22583820) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide
PubChem CID22583820
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)C1CCCCC1
InChIInChI=1S/C18H22N2OS/c21-17(14-7-3-1-4-8-14)19-12-11-16-13-22-18(20-16)15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,21)
InChIKeySILNBOCIGGIDPD-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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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
2-chloro-6-fluoro-N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7522100
N-(4-(2-methylthiazol-4-yl)phenyl)-2-phenylacetamide
CID 2110572
2-(2-phenyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2475602
N-[(4-methylphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532745
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 4803987

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide (CID 22583820) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide is O=C(NCCc1csc(-c2ccccc2)n1)C1CCCCC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is SILNBOCIGGIDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c21-17(14-7-3-1-4-8-14)19-12-11-16-13-22-18(20-16)15-9-5-2-6-10-15/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,19,21).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-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-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 22583820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).