2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole

C15H25N3S — CID 64953406

IUPAC2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESc1csc(CCN2CCNC(C3CCCCC3)C2)n1
InChIInChI=1S/C15H25N3S/c1-2-4-13(5-3-1)14-12-18(10-7-16-14)9-6-15-17-8-11-19-15/h8,11,13-14,16H,1-7,9-10,12H2
InChIKeyAJKQTOUBSWJVAY-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.54
Rot. Bonds4

About 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole

2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64953406) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64953406
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESc1csc(CCN2CCNC(C3CCCCC3)C2)n1
InChIInChI=1S/C15H25N3S/c1-2-4-13(5-3-1)14-12-18(10-7-16-14)9-6-15-17-8-11-19-15/h8,11,13-14,16H,1-7,9-10,12H2
InChIKeyAJKQTOUBSWJVAY-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
CID 79930238
2-[2-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79926250
3-cyclohexyl-1-(3-phenylpropyl)piperazine
CID 64834291
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
CID 63242038
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
CID 79939636
5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644805
3-cyclohexyl-1-(2-cyclopentyloxyethyl)piperazine
CID 64951819
3-cyclohexyl-1-[2-(2-methylimidazol-1-yl)ethyl]-1,4-diazepane
CID 64870713
3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
CID 64833283
3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049
1-(2-cyclohexyloxyethyl)-3-cyclopropylpiperazine
CID 64953422

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64953406) is 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole is c1csc(CCN2CCNC(C3CCCCC3)C2)n1.
What is the InChIKey of 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is AJKQTOUBSWJVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-2-4-13(5-3-1)14-12-18(10-7-16-14)9-6-15-17-8-11-19-15/h8,11,13-14,16H,1-7,9-10,12H2.
What are the key properties of 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 279.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64953406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).