2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C16H23N3S — CID 105136962

IUPAC2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2snnc2C(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-10(2)13-7-5-12(6-8-13)9-14(17)16-15(11(3)4)18-19-20-16/h5-8,10-11,14H,9,17H2,1-4H3
InChIKeyCBCHQUTUWSSTNX-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.03
Rot. Bonds5

About 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 105136962) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID105136962
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1ccc(CC(N)c2snnc2C(C)C)cc1
InChIInChI=1S/C16H23N3S/c1-10(2)13-7-5-12(6-8-13)9-14(17)16-15(11(3)4)18-19-20-16/h5-8,10-11,14H,9,17H2,1-4H3
InChIKeyCBCHQUTUWSSTNX-UHFFFAOYSA-N
XLogP4.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136160
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105152360
4-methyl-1-(4-propan-2-ylthiadiazol-5-yl)pentan-1-amine
CID 105126748
2-(2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105107359
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105180886
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105137302
2-(1,3-benzothiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105169681
[(4-propan-2-ylthiadiazol-5-yl)-(4-propylphenyl)methyl]hydrazine
CID 105303905
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158761
1-(3-chloro-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 103443973
2-cyclobutyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105151560

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 105136962) is 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CC(C)c1ccc(CC(N)c2snnc2C(C)C)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is CBCHQUTUWSSTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-10(2)13-7-5-12(6-8-13)9-14(17)16-15(11(3)4)18-19-20-16/h5-8,10-11,14H,9,17H2,1-4H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 289.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105136962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).