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

C13H23N3OS — CID 133397643

IUPAC1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C13H23N3OS/c1-9(17)10-6-5-7-16(8-10)12-15-14-11(18-12)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyJVPXDZASLSQQGU-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.43
Rot. Bonds2

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

1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol (PubChem CID 133397643) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
PubChem CID133397643
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol
SMILESCC(O)C1CCCN(c2nnc(C(C)(C)C)s2)C1
InChIInChI=1S/C13H23N3OS/c1-9(17)10-6-5-7-16(8-10)12-15-14-11(18-12)13(2,3)4/h9-10,17H,5-8H2,1-4H3
InChIKeyJVPXDZASLSQQGU-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(azepan-1-yl)piperidin-1-yl]-5-tert-butyl-1,3,4-thiadiazole
CID 133454456
1-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]ethanol
CID 133397784
2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazole
CID 133365940
tert-butyl N-[(3R)-1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]carbamate
CID 133383826
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 133366067
1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanol
CID 112627776
2-tert-butyl-5-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 133402896
1-(1-pyrimidin-2-ylpiperidin-3-yl)ethanol
CID 133397978
1-[1-(2,6-ditert-butylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133397917
2-[(3aS,9aR,9bS)-1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl]-5-tert-butyl-1,3,4-thiadiazole
CID 97075925
2-tert-butyl-5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazole
CID 133381910
N-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]propanamide
CID 86799553

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol (CID 133397643) is 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol is CC(O)C1CCCN(c2nnc(C(C)(C)C)s2)C1.
What is the InChIKey of 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
The InChIKey is JVPXDZASLSQQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9(17)10-6-5-7-16(8-10)12-15-14-11(18-12)13(2,3)4/h9-10,17H,5-8H2,1-4H3.
What are the key properties of 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol?
1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol has a molecular weight of 269.41 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 133397643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).