3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol

C10H17N3OS — CID 66005694

IUPAC3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)c1nsc(NCC2CC(O)C2)n1
InChIInChI=1S/C10H17N3OS/c1-6(2)9-12-10(15-13-9)11-5-7-3-8(14)4-7/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyNBCNIOZWYSPILN-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.84
Rot. Bonds4

About 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol

3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol (PubChem CID 66005694) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
PubChem CID66005694
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
SMILESCC(C)c1nsc(NCC2CC(O)C2)n1
InChIInChI=1S/C10H17N3OS/c1-6(2)9-12-10(15-13-9)11-5-7-3-8(14)4-7/h6-8,14H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyNBCNIOZWYSPILN-UHFFFAOYSA-N
XLogP1.84
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol (CID 66005694) is 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol is CC(C)c1nsc(NCC2CC(O)C2)n1.
What is the InChIKey of 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol?
The InChIKey is NBCNIOZWYSPILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)9-12-10(15-13-9)11-5-7-3-8(14)4-7/h6-8,14H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol?
3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 66005694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).