2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone

C19H28N2O2S — CID 136565999

IUPAC2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(C(O)C1CCCCC1)N1CCC(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C19H28N2O2S/c22-17(13-5-2-1-3-6-13)19(23)21-11-9-14(10-12-21)18-20-15-7-4-8-16(15)24-18/h13-14,17,22H,1-12H2
InChIKeySVPZGCHZHCTUAW-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.28
Rot. Bonds3

About 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone

2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone (PubChem CID 136565999) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
PubChem CID136565999
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone
SMILESO=C(C(O)C1CCCCC1)N1CCC(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C19H28N2O2S/c22-17(13-5-2-1-3-6-13)19(23)21-11-9-14(10-12-21)18-20-15-7-4-8-16(15)24-18/h13-14,17,22H,1-12H2
InChIKeySVPZGCHZHCTUAW-UHFFFAOYSA-N
XLogP3.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone (CID 136565999) is 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone is O=C(C(O)C1CCCCC1)N1CCC(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
The InChIKey is SVPZGCHZHCTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c22-17(13-5-2-1-3-6-13)19(23)21-11-9-14(10-12-21)18-20-15-7-4-8-16(15)24-18/h13-14,17,22H,1-12H2.
What are the key properties of 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone?
2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone has a molecular weight of 348.51 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 136565999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).