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

C18H31N3OS — CID 45243138

IUPAC2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1csc(CN2CCN(C3CCCC3)C(CCO)C2)n1
InChIInChI=1S/C18H31N3OS/c1-14(2)17-13-23-18(19-17)12-20-8-9-21(15-5-3-4-6-15)16(11-20)7-10-22/h13-16,22H,3-12H2,1-2H3
InChIKeyLHNLTXDERWXZDZ-UHFFFAOYSA-N
MW337.53 g/mol
LogP3.08
Rot. Bonds6

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

2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (PubChem CID 45243138) has the molecular formula C18H31N3OS and a molecular weight of 337.53 g/mol. Its IUPAC name is 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
PubChem CID45243138
Molecular FormulaC18H31N3OS
Molecular Weight337.53 g/mol
Exact Mass337.22
IUPAC Name2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol
SMILESCC(C)c1csc(CN2CCN(C3CCCC3)C(CCO)C2)n1
InChIInChI=1S/C18H31N3OS/c1-14(2)17-13-23-18(19-17)12-20-8-9-21(15-5-3-4-6-15)16(11-20)7-10-22/h13-16,22H,3-12H2,1-2H3
InChIKeyLHNLTXDERWXZDZ-UHFFFAOYSA-N
XLogP3.08
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol (CID 45243138) is 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is CC(C)c1csc(CN2CCN(C3CCCC3)C(CCO)C2)n1.
What is the InChIKey of 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
The InChIKey is LHNLTXDERWXZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3OS/c1-14(2)17-13-23-18(19-17)12-20-8-9-21(15-5-3-4-6-15)16(11-20)7-10-22/h13-16,22H,3-12H2,1-2H3.
What are the key properties of 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol?
2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol has a molecular weight of 337.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-4-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 45243138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).