cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C17H26N2OS — CID 110289874

IUPACcyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)C3CCCCC3)CC2)sc1C
InChIInChI=1S/C17H26N2OS/c1-12-13(2)21-16(18-12)14-8-10-19(11-9-14)17(20)15-6-4-3-5-7-15/h14-15H,3-11H2,1-2H3
InChIKeyGXEZYWVJZVKZSR-UHFFFAOYSA-N
MW306.47 g/mol
LogP4.05
Rot. Bonds2

About cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110289874) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110289874
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Namecyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C2CCN(C(=O)C3CCCCC3)CC2)sc1C
InChIInChI=1S/C17H26N2OS/c1-12-13(2)21-16(18-12)14-8-10-19(11-9-14)17(20)15-6-4-3-5-7-15/h14-15H,3-11H2,1-2H3
InChIKeyGXEZYWVJZVKZSR-UHFFFAOYSA-N
XLogP4.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110289874) is cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1nc(C2CCN(C(=O)C3CCCCC3)CC2)sc1C.
What is the InChIKey of cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is GXEZYWVJZVKZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-12-13(2)21-16(18-12)14-8-10-19(11-9-14)17(20)15-6-4-3-5-7-15/h14-15H,3-11H2,1-2H3.
What are the key properties of cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 306.47 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110289874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).