2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

C12H18N2OS — CID 52893962

IUPAC2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)CC1CCCCC1
InChIInChI=1S/C12H18N2OS/c1-14-7-8-16-12(14)13-11(15)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3/b13-12-
InChIKeyVGEVFHHWLWMDJA-SEYXRHQNSA-N
MW238.36 g/mol
LogP2.48
Rot. Bonds2

About 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide

2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 52893962) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
PubChem CID52893962
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
SMILESCn1ccs/c1=N\C(=O)CC1CCCCC1
InChIInChI=1S/C12H18N2OS/c1-14-7-8-16-12(14)13-11(15)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3/b13-12-
InChIKeyVGEVFHHWLWMDJA-SEYXRHQNSA-N
XLogP2.48
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide (CID 52893962) is 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is Cn1ccs/c1=N\C(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is VGEVFHHWLWMDJA-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-14-7-8-16-12(14)13-11(15)9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3/b13-12-.
What are the key properties of 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide?
2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 238.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 52893962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).