N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine

C14H25N3OS — CID 116782368

IUPACN-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(NC(C)(C)C)n2)CCCC(C)C1
InChIInChI=1S/C14H25N3OS/c1-10-7-6-8-14(9-10,18-5)11-15-12(19-17-11)16-13(2,3)4/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyVHXDYGFFHNESQB-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.80
Rot. Bonds3

About N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 116782368) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID116782368
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCOC1(c2nsc(NC(C)(C)C)n2)CCCC(C)C1
InChIInChI=1S/C14H25N3OS/c1-10-7-6-8-14(9-10,18-5)11-15-12(19-17-11)16-13(2,3)4/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyVHXDYGFFHNESQB-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 116782368) is N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is COC1(c2nsc(NC(C)(C)C)n2)CCCC(C)C1.
What is the InChIKey of N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VHXDYGFFHNESQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-10-7-6-8-14(9-10,18-5)11-15-12(19-17-11)16-13(2,3)4/h10H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 283.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116782368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).