1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone

C20H33N3OS — CID 30860436

IUPAC1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone
SMILESCC(C)(C)c1csc(CN2CCN(C(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C20H33N3OS/c1-20(2,3)17-15-25-18(21-17)14-22-9-11-23(12-10-22)19(24)13-16-7-5-4-6-8-16/h15-16H,4-14H2,1-3H3
InChIKeyJRSFANSALDBLAI-UHFFFAOYSA-N
MW363.57 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone

1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 30860436) has the molecular formula C20H33N3OS and a molecular weight of 363.57 g/mol. Its IUPAC name is 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone
PubChem CID30860436
Molecular FormulaC20H33N3OS
Molecular Weight363.57 g/mol
Exact Mass363.23
IUPAC Name1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone
SMILESCC(C)(C)c1csc(CN2CCN(C(=O)CC3CCCCC3)CC2)n1
InChIInChI=1S/C20H33N3OS/c1-20(2,3)17-15-25-18(21-17)14-22-9-11-23(12-10-22)19(24)13-16-7-5-4-6-8-16/h15-16H,4-14H2,1-3H3
InChIKeyJRSFANSALDBLAI-UHFFFAOYSA-N
XLogP4.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone (CID 30860436) is 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone is CC(C)(C)c1csc(CN2CCN(C(=O)CC3CCCCC3)CC2)n1.
What is the InChIKey of 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is JRSFANSALDBLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3OS/c1-20(2,3)17-15-25-18(21-17)14-22-9-11-23(12-10-22)19(24)13-16-7-5-4-6-8-16/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone?
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 363.57 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 30860436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).