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

C14H19N3O2S — CID 103400001

IUPACN-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(OC)cc(-c2nsc(NC(C)(C)C)n2)c1
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)16-13-15-12(17-20-13)9-6-10(18-4)8-11(7-9)19-5/h6-8H,1-5H3,(H,15,16,17)
InChIKeyHFIYGRSLEARHNX-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.43
Rot. Bonds4

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

N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103400001) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID103400001
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(OC)cc(-c2nsc(NC(C)(C)C)n2)c1
InChIInChI=1S/C14H19N3O2S/c1-14(2,3)16-13-15-12(17-20-13)9-6-10(18-4)8-11(7-9)19-5/h6-8H,1-5H3,(H,15,16,17)
InChIKeyHFIYGRSLEARHNX-UHFFFAOYSA-N
XLogP3.43
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-3-(3,5-difluorophenyl)-1,2,4-thiadiazol-5-amine
CID 65268612
3-(3-bromophenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65269243
N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
CID 65268785
3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
3-(4-methoxyphenyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268591
3-(2-bromo-4-methylphenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine
CID 114015527
N-tert-butyl-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 60642120
N-tert-butyl-3-(4-methyl-3-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 114879047
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
N-(3,5-dimethoxyphenyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 157013293
2-(3,5-dimethoxyphenyl)-N,6-diethylpyrimidin-4-amine
CID 62202777

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine (CID 103400001) is N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine is COc1cc(OC)cc(-c2nsc(NC(C)(C)C)n2)c1.
What is the InChIKey of N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HFIYGRSLEARHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(2,3)16-13-15-12(17-20-13)9-6-10(18-4)8-11(7-9)19-5/h6-8H,1-5H3,(H,15,16,17).
What are the key properties of N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 293.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,5-dimethoxyphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103400001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).