2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole

C18H23NS — CID 67915715

IUPAC2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole
SMILESCC1(c2nccs2)CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H23NS/c1-18(17-19-13-14-20-17)11-9-16(10-12-18)8-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3
InChIKeyMHGINIXIAMFTOB-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.22
Rot. Bonds4

About 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole

2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole (PubChem CID 67915715) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole
PubChem CID67915715
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole
SMILESCC1(c2nccs2)CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H23NS/c1-18(17-19-13-14-20-17)11-9-16(10-12-18)8-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3
InChIKeyMHGINIXIAMFTOB-UHFFFAOYSA-N
XLogP5.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole?
The IUPAC name of 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole (CID 67915715) is 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole?
The canonical SMILES for 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole is CC1(c2nccs2)CCC(CCc2ccccc2)CC1.
What is the InChIKey of 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole?
The InChIKey is MHGINIXIAMFTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-18(17-19-13-14-20-17)11-9-16(10-12-18)8-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3.
What are the key properties of 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole?
2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole has a molecular weight of 285.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole is sourced from PubChem (CID 67915715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).