5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole

C14H23N3S — CID 112644805

IUPAC5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ncc(CN2CCNC(C3CCCCC3)C2)s1
InChIInChI=1S/C14H23N3S/c1-2-4-12(5-3-1)14-10-17(7-6-16-14)9-13-8-15-11-18-13/h8,11-12,14,16H,1-7,9-10H2
InChIKeyZGMGKKLZFQMUIS-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.50
Rot. Bonds3

About 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole

5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 112644805) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID112644805
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESc1ncc(CN2CCNC(C3CCCCC3)C2)s1
InChIInChI=1S/C14H23N3S/c1-2-4-12(5-3-1)14-10-17(7-6-16-14)9-13-8-15-11-18-13/h8,11-12,14,16H,1-7,9-10H2
InChIKeyZGMGKKLZFQMUIS-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole (CID 112644805) is 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole is c1ncc(CN2CCNC(C3CCCCC3)C2)s1.
What is the InChIKey of 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZGMGKKLZFQMUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-4-12(5-3-1)14-10-17(7-6-16-14)9-13-8-15-11-18-13/h8,11-12,14,16H,1-7,9-10H2.
What are the key properties of 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole?
5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 265.43 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclohexylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112644805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).