4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol

C12H21N3OS — CID 65272477

IUPAC4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCC(C)(C)c1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-8-4-6-9(16)7-5-8/h8-9,16H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyGAYSNYSPOOKJKM-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.55
Rot. Bonds2

About 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol

4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (PubChem CID 65272477) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
PubChem CID65272477
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol
SMILESCC(C)(C)c1nsc(NC2CCC(O)CC2)n1
InChIInChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-8-4-6-9(16)7-5-8/h8-9,16H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyGAYSNYSPOOKJKM-UHFFFAOYSA-N
XLogP2.55
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol (CID 65272477) is 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is CC(C)(C)c1nsc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
The InChIKey is GAYSNYSPOOKJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-12(2,3)10-14-11(17-15-10)13-8-4-6-9(16)7-5-8/h8-9,16H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol?
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 65272477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).