1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine

C14H18ClN3S — CID 105096256

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClN3S/c1-14(2,3)13-12(19-18-17-13)11(16)8-9-6-4-5-7-10(9)15/h4-7,11H,8,16H2,1-3H3
InChIKeyKHUKJUZOPNTQQM-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.73
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine

1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine (PubChem CID 105096256) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
PubChem CID105096256
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
SMILESCC(C)(C)c1nnsc1C(N)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClN3S/c1-14(2,3)13-12(19-18-17-13)11(16)8-9-6-4-5-7-10(9)15/h4-7,11H,8,16H2,1-3H3
InChIKeyKHUKJUZOPNTQQM-UHFFFAOYSA-N
XLogP3.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105181669
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethanamine
CID 105190570
[(4-tert-butylthiadiazol-5-yl)-(2-chlorophenyl)methyl]hydrazine
CID 105287472
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295283
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine (CID 105096256) is 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine is CC(C)(C)c1nnsc1C(N)Cc1ccccc1Cl.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine?
The InChIKey is KHUKJUZOPNTQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-14(2,3)13-12(19-18-17-13)11(16)8-9-6-4-5-7-10(9)15/h4-7,11H,8,16H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine?
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine has a molecular weight of 295.84 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine is sourced from PubChem (CID 105096256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).