1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol

C25H35N3OS — CID 100646595

IUPAC1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESOC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(CC2CCCCC2)CC1
InChIInChI=1S/C25H35N3OS/c29-25(11-14-27(15-12-25)16-20-6-2-1-3-7-20)23-19-30-24(26-23)18-28-13-10-21-8-4-5-9-22(21)17-28/h4-5,8-9,19-20,29H,1-3,6-7,10-18H2
InChIKeySTPVYJRQAWMKIW-UHFFFAOYSA-N
MW425.64 g/mol
LogP4.57
Rot. Bonds5

About 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol

1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol (PubChem CID 100646595) has the molecular formula C25H35N3OS and a molecular weight of 425.64 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
PubChem CID100646595
Molecular FormulaC25H35N3OS
Molecular Weight425.64 g/mol
Exact Mass425.25
IUPAC Name1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol
SMILESOC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(CC2CCCCC2)CC1
InChIInChI=1S/C25H35N3OS/c29-25(11-14-27(15-12-25)16-20-6-2-1-3-7-20)23-19-30-24(26-23)18-28-13-10-21-8-4-5-9-22(21)17-28/h4-5,8-9,19-20,29H,1-3,6-7,10-18H2
InChIKeySTPVYJRQAWMKIW-UHFFFAOYSA-N
XLogP4.57
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.64
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The IUPAC name of 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol (CID 100646595) is 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol is OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
The InChIKey is STPVYJRQAWMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3OS/c29-25(11-14-27(15-12-25)16-20-6-2-1-3-7-20)23-19-30-24(26-23)18-28-13-10-21-8-4-5-9-22(21)17-28/h4-5,8-9,19-20,29H,1-3,6-7,10-18H2.
What are the key properties of 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol?
1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol has a molecular weight of 425.64 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazol-4-yl]piperidin-4-ol is sourced from PubChem (CID 100646595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).