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

C14H25N3OS — CID 65273946

IUPAC1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C14H25N3OS/c1-10-6-5-7-14(18,8-10)9-15-12-16-11(17-19-12)13(2,3)4/h10,18H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyRZIYNCKZOQAVDJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.19
Rot. Bonds3

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

1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol (PubChem CID 65273946) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol
PubChem CID65273946
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNc2nc(C(C)(C)C)ns2)C1
InChIInChI=1S/C14H25N3OS/c1-10-6-5-7-14(18,8-10)9-15-12-16-11(17-19-12)13(2,3)4/h10,18H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyRZIYNCKZOQAVDJ-UHFFFAOYSA-N
XLogP3.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol (CID 65273946) is 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNc2nc(C(C)(C)C)ns2)C1.
What is the InChIKey of 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol?
The InChIKey is RZIYNCKZOQAVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10-6-5-7-14(18,8-10)9-15-12-16-11(17-19-12)13(2,3)4/h10,18H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol?
1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 65273946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).