2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide

C18H28N2OS — CID 118726222

IUPAC2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ncc(CC2CCCCC2)s1
InChIInChI=1S/C18H28N2OS/c21-17(12-15-9-5-2-6-10-15)20-18-19-13-16(22-18)11-14-7-3-1-4-8-14/h13-15H,1-12H2,(H,19,20,21)
InChIKeyPLMHDHCSVWEMAD-UHFFFAOYSA-N
MW320.50 g/mol
LogP5.17
Rot. Bonds5

About 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide

2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 118726222) has the molecular formula C18H28N2OS and a molecular weight of 320.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID118726222
Molecular FormulaC18H28N2OS
Molecular Weight320.50 g/mol
Exact Mass320.19
IUPAC Name2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ncc(CC2CCCCC2)s1
InChIInChI=1S/C18H28N2OS/c21-17(12-15-9-5-2-6-10-15)20-18-19-13-16(22-18)11-14-7-3-1-4-8-14/h13-15H,1-12H2,(H,19,20,21)
InChIKeyPLMHDHCSVWEMAD-UHFFFAOYSA-N
XLogP5.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide (CID 118726222) is 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide is O=C(CC1CCCCC1)Nc1ncc(CC2CCCCC2)s1.
What is the InChIKey of 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PLMHDHCSVWEMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS/c21-17(12-15-9-5-2-6-10-15)20-18-19-13-16(22-18)11-14-7-3-1-4-8-14/h13-15H,1-12H2,(H,19,20,21).
What are the key properties of 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide?
2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 320.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-(cyclohexylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118726222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).