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

C17H29N3OS — CID 45249388

IUPAC2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2nccs2)CCN1CC1CCCCC1
InChIInChI=1S/C17H29N3OS/c21-10-6-16-13-19(14-17-18-7-11-22-17)8-9-20(16)12-15-4-2-1-3-5-15/h7,11,15-16,21H,1-6,8-10,12-14H2
InChIKeyTUQHFYJFCWYFOF-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.59
Rot. Bonds6

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

2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45249388) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45249388
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2nccs2)CCN1CC1CCCCC1
InChIInChI=1S/C17H29N3OS/c21-10-6-16-13-19(14-17-18-7-11-22-17)8-9-20(16)12-15-4-2-1-3-5-15/h7,11,15-16,21H,1-6,8-10,12-14H2
InChIKeyTUQHFYJFCWYFOF-UHFFFAOYSA-N
XLogP2.59
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.59
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-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol (CID 45249388) is 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2nccs2)CCN1CC1CCCCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is TUQHFYJFCWYFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c21-10-6-16-13-19(14-17-18-7-11-22-17)8-9-20(16)12-15-4-2-1-3-5-15/h7,11,15-16,21H,1-6,8-10,12-14H2.
What are the key properties of 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?
2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 323.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45249388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).