2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol

C12H22N4OS — CID 65274709

IUPAC2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N4OS/c1-12(2,3)10-13-11(18-14-10)16-6-4-15(5-7-16)8-9-17/h17H,4-9H2,1-3H3
InChIKeyKLSLVDUFUBJRJL-UHFFFAOYSA-N
MW270.40 g/mol
LogP0.95
Rot. Bonds3

About 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol

2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (PubChem CID 65274709) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
PubChem CID65274709
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol
SMILESCC(C)(C)c1nsc(N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H22N4OS/c1-12(2,3)10-13-11(18-14-10)16-6-4-15(5-7-16)8-9-17/h17H,4-9H2,1-3H3
InChIKeyKLSLVDUFUBJRJL-UHFFFAOYSA-N
XLogP0.95
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 71988591
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-1-(2-hydroxyethyl)piperazin-2-one
CID 75377879
1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
2-Methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 107305699
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484326
2-[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethanol
CID 113944082
2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 113964948
[1-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazin-2-yl]methanol
CID 137888303
2,2-Difluoro-3-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-ol
CID 138019287
5-[4-(1-Methoxypropan-2-yl)piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 72112054
3-tert-butyl-N-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65271028
2-[4-(3-Tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetic acid
CID 65273003

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol (CID 65274709) is 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is CC(C)(C)c1nsc(N2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
The InChIKey is KLSLVDUFUBJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-12(2,3)10-13-11(18-14-10)16-6-4-15(5-7-16)8-9-17/h17H,4-9H2,1-3H3.
What are the key properties of 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol?
2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol has a molecular weight of 270.40 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 65274709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).