3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol

C16H27N3OS — CID 64735470

IUPAC3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(CN2CCN(c3nccs3)CC2)C(O)C1
InChIInChI=1S/C16H27N3OS/c1-12-9-13(2)14(15(20)10-12)11-18-4-6-19(7-5-18)16-17-3-8-21-16/h3,8,12-15,20H,4-7,9-11H2,1-2H3
InChIKeyPTRXZFLBRYVZMP-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.31
Rot. Bonds3

About 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol

3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 64735470) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID64735470
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESCC1CC(C)C(CN2CCN(c3nccs3)CC2)C(O)C1
InChIInChI=1S/C16H27N3OS/c1-12-9-13(2)14(15(20)10-12)11-18-4-6-19(7-5-18)16-17-3-8-21-16/h3,8,12-15,20H,4-7,9-11H2,1-2H3
InChIKeyPTRXZFLBRYVZMP-UHFFFAOYSA-N
XLogP2.31
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62614291
2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 79385029
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
2-[4-[(E)-3-chloroprop-2-enyl]piperazin-1-yl]-1,3-thiazole
CID 134001056
N-cyclopropyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 29439867
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 64735470) is 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol is CC1CC(C)C(CN2CCN(c3nccs3)CC2)C(O)C1.
What is the InChIKey of 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is PTRXZFLBRYVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-12-9-13(2)14(15(20)10-12)11-18-4-6-19(7-5-18)16-17-3-8-21-16/h3,8,12-15,20H,4-7,9-11H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol?
3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 309.48 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64735470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).