cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

C21H28N4OS — CID 53172814

IUPACcyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCc1csc(-c2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nc2)n1
InChIInChI=1S/C21H28N4OS/c1-2-18-15-27-20(23-18)17-8-9-19(22-14-17)24-10-12-25(13-11-24)21(26)16-6-4-3-5-7-16/h8-9,14-16H,2-7,10-13H2,1H3
InChIKeyUCHIWVQMGOVSTF-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.00
Rot. Bonds4

About cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 53172814) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID53172814
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Namecyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCCc1csc(-c2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nc2)n1
InChIInChI=1S/C21H28N4OS/c1-2-18-15-27-20(23-18)17-8-9-19(22-14-17)24-10-12-25(13-11-24)21(26)16-6-4-3-5-7-16/h8-9,14-16H,2-7,10-13H2,1H3
InChIKeyUCHIWVQMGOVSTF-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 53172814) is cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is CCc1csc(-c2ccc(N3CCN(C(=O)C4CCCCC4)CC3)nc2)n1.
What is the InChIKey of cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is UCHIWVQMGOVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-2-18-15-27-20(23-18)17-8-9-19(22-14-17)24-10-12-25(13-11-24)21(26)16-6-4-3-5-7-16/h8-9,14-16H,2-7,10-13H2,1H3.
What are the key properties of cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 384.55 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53172814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).