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

C13H23N3O2S — CID 133494662

IUPAC2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol
SMILESCC(C)(C)c1nsc(NCC2(CCO)CCOC2)n1
InChIInChI=1S/C13H23N3O2S/c1-12(2,3)10-15-11(19-16-10)14-8-13(4-6-17)5-7-18-9-13/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCOYCVHIXBLIJCO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.04
Rot. Bonds5

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

2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol (PubChem CID 133494662) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol
PubChem CID133494662
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol
SMILESCC(C)(C)c1nsc(NCC2(CCO)CCOC2)n1
InChIInChI=1S/C13H23N3O2S/c1-12(2,3)10-15-11(19-16-10)14-8-13(4-6-17)5-7-18-9-13/h17H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCOYCVHIXBLIJCO-UHFFFAOYSA-N
XLogP2.04
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol with MolForge

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Related Compounds

3-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]pentan-1-ol
CID 80295950
4-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol
CID 103736664
2-Ethyl-2-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
CID 103844310
2-Ethyl-2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
CID 103844380
2-Ethyl-2-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]butan-1-ol
CID 103844407
4-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]-3,3-dimethylbutan-1-ol
CID 104952786
2-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-2-ethylbutan-1-ol
CID 104952808
3,3-Dimethyl-4-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 106144669
3-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-2-methyloxolan-3-ol
CID 107269632
[1-[[(3-Propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 113294044
[1-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 113294060
3-tert-butyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 113626184

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol?
The IUPAC name of 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol (CID 133494662) is 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol.
What is the SMILES notation for 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol?
The canonical SMILES for 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol is CC(C)(C)c1nsc(NCC2(CCO)CCOC2)n1.
What is the InChIKey of 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol?
The InChIKey is COYCVHIXBLIJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-12(2,3)10-15-11(19-16-10)14-8-13(4-6-17)5-7-18-9-13/h17H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol?
2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol has a molecular weight of 285.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]oxolan-3-yl]ethanol is sourced from PubChem (CID 133494662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).