4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

C15H25N3OS — CID 106383596

IUPAC4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CNC(C2CCCCC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C15H25N3OS/c1-11-7-16-14(12-5-3-2-4-6-12)9-18(11)8-13-10-20-15(19)17-13/h10-12,14,16H,2-9H2,1H3,(H,17,19)
InChIKeyWOECZKDXUWKSQC-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.18
Rot. Bonds3

About 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383596) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106383596
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CNC(C2CCCCC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C15H25N3OS/c1-11-7-16-14(12-5-3-2-4-6-12)9-18(11)8-13-10-20-15(19)17-13/h10-12,14,16H,2-9H2,1H3,(H,17,19)
InChIKeyWOECZKDXUWKSQC-UHFFFAOYSA-N
XLogP2.18
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383650
4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381567
2-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 106376686
5-cyclohexyl-2-methyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64860745
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64939610
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
5-cyclohexyl-2-methyl-1-(2-methylpentyl)piperazine
CID 64860363
3-[2-(5-cyclohexyl-2-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408900
4-[[3-(methylamino)piperidin-1-yl]methyl]-3H-1,3-thiazol-2-one
CID 106383562
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106383596) is 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is CC1CNC(C2CCCCC2)CN1Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WOECZKDXUWKSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11-7-16-14(12-5-3-2-4-6-12)9-18(11)8-13-10-20-15(19)17-13/h10-12,14,16H,2-9H2,1H3,(H,17,19).
What are the key properties of 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 295.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).