2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol

C20H35N3OS — CID 45210027

IUPAC2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1csc(CN2CCN(CC3CCCCC3)C(CCO)C2)n1
InChIInChI=1S/C20H35N3OS/c1-16(2)19-15-25-20(21-19)14-22-9-10-23(18(13-22)8-11-24)12-17-6-4-3-5-7-17/h15-18,24H,3-14H2,1-2H3
InChIKeyJZZQTMMYQGETBY-UHFFFAOYSA-N
MW365.59 g/mol
LogP3.72
Rot. Bonds7

About 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol

2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45210027) has the molecular formula C20H35N3OS and a molecular weight of 365.59 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45210027
Molecular FormulaC20H35N3OS
Molecular Weight365.59 g/mol
Exact Mass365.25
IUPAC Name2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1csc(CN2CCN(CC3CCCCC3)C(CCO)C2)n1
InChIInChI=1S/C20H35N3OS/c1-16(2)19-15-25-20(21-19)14-22-9-10-23(18(13-22)8-11-24)12-17-6-4-3-5-7-17/h15-18,24H,3-14H2,1-2H3
InChIKeyJZZQTMMYQGETBY-UHFFFAOYSA-N
XLogP3.72
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 45210027) is 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is CC(C)c1csc(CN2CCN(CC3CCCCC3)C(CCO)C2)n1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is JZZQTMMYQGETBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3OS/c1-16(2)19-15-25-20(21-19)14-22-9-10-23(18(13-22)8-11-24)12-17-6-4-3-5-7-17/h15-18,24H,3-14H2,1-2H3.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 365.59 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45210027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).