cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

C20H29N3OS — CID 92598278

IUPACcyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1sc2c(C3CCN(C(=O)C4CCCCC4)CC3)nc(C)n2c1C
InChIInChI=1S/C20H29N3OS/c1-13-14(2)25-20-18(21-15(3)23(13)20)16-9-11-22(12-10-16)19(24)17-7-5-4-6-8-17/h16-17H,4-12H2,1-3H3
InChIKeyUFXPJWQFNVFLTN-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.61
Rot. Bonds2

About cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone

cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (PubChem CID 92598278) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
PubChem CID92598278
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Namecyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
SMILESCc1sc2c(C3CCN(C(=O)C4CCCCC4)CC3)nc(C)n2c1C
InChIInChI=1S/C20H29N3OS/c1-13-14(2)25-20-18(21-15(3)23(13)20)16-9-11-22(12-10-16)19(24)17-7-5-4-6-8-17/h16-17H,4-12H2,1-3H3
InChIKeyUFXPJWQFNVFLTN-UHFFFAOYSA-N
XLogP4.61
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone (CID 92598278) is cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is Cc1sc2c(C3CCN(C(=O)C4CCCCC4)CC3)nc(C)n2c1C.
What is the InChIKey of cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
The InChIKey is UFXPJWQFNVFLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-13-14(2)25-20-18(21-15(3)23(13)20)16-9-11-22(12-10-16)19(24)17-7-5-4-6-8-17/h16-17H,4-12H2,1-3H3.
What are the key properties of cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone?
cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone has a molecular weight of 359.54 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 92598278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).