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

C12H23N3OS — CID 116734357

IUPACN-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOC(c1nsc(NC(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C12H23N3OS/c1-11(2,3)8(16-7)9-13-10(17-15-9)14-12(4,5)6/h8H,1-7H3,(H,13,14,15)
InChIKeyCNBPPNGWQBIKRT-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.48
Rot. Bonds3

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

N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 116734357) has the molecular formula C12H23N3OS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID116734357
Molecular FormulaC12H23N3OS
Molecular Weight257.40 g/mol
Exact Mass257.16
IUPAC NameN-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCOC(c1nsc(NC(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C12H23N3OS/c1-11(2,3)8(16-7)9-13-10(17-15-9)14-12(4,5)6/h8H,1-7H3,(H,13,14,15)
InChIKeyCNBPPNGWQBIKRT-UHFFFAOYSA-N
XLogP3.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-1,2,4-thiadiazol-5-amine
CID 116734310
N-(1-methoxy-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 115886040
N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 103400001
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
CID 65268785
N-tert-butyl-3-(methylsulfonylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268504
N',N'-diethyl-N-[3-(1-methoxyethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 114268243
N-tert-butyl-3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65268612
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107390179
N-(1-methoxy-3-methylbutan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274118
N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782368
2-cyclopropyl-2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65270325

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine (CID 116734357) is N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine is COC(c1nsc(NC(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CNBPPNGWQBIKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3OS/c1-11(2,3)8(16-7)9-13-10(17-15-9)14-12(4,5)6/h8H,1-7H3,(H,13,14,15).
What are the key properties of N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 257.40 g/mol, XLogP of 3.48, 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-2,2-dimethylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116734357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).