5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

C17H29N3S — CID 115979536

IUPAC5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)C1CN(Cc2cncs2)C(C2CCCCC2)CN1
InChIInChI=1S/C17H29N3S/c1-13(2)16-11-20(10-15-8-18-12-21-15)17(9-19-16)14-6-4-3-5-7-14/h8,12-14,16-17,19H,3-7,9-11H2,1-2H3
InChIKeyOUAICWCCFRVEPE-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.52
Rot. Bonds4

About 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 115979536) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID115979536
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCC(C)C1CN(Cc2cncs2)C(C2CCCCC2)CN1
InChIInChI=1S/C17H29N3S/c1-13(2)16-11-20(10-15-8-18-12-21-15)17(9-19-16)14-6-4-3-5-7-14/h8,12-14,16-17,19H,3-7,9-11H2,1-2H3
InChIKeyOUAICWCCFRVEPE-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-butan-2-yl-2-cyclopropylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644908
2-cyclohexyl-1-(cyclopentylmethyl)-5-propan-2-ylpiperazine
CID 64839249
5-[(3-propan-2-yl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644963
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
2-cyclohexyl-1-(2-ethylbutyl)-5-propan-2-ylpiperazine
CID 82926369
5-[(5-methyl-2-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644827
2-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-5-propan-2-ylpiperazine
CID 64839236
2-cyclohexyl-1-methyl-5-propan-2-ylpiperazine
CID 64840220
5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644805
5-[(2-propan-2-yl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644843
5-[(2,5-dimethylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120906200
5-(1,4-diazabicyclo[3.2.2]nonan-4-ylmethyl)-1,3-thiazole
CID 68865181

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 115979536) is 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is CC(C)C1CN(Cc2cncs2)C(C2CCCCC2)CN1.
What is the InChIKey of 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is OUAICWCCFRVEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-13(2)16-11-20(10-15-8-18-12-21-15)17(9-19-16)14-6-4-3-5-7-14/h8,12-14,16-17,19H,3-7,9-11H2,1-2H3.
What are the key properties of 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 307.51 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexyl-5-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 115979536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).