1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine

C15H19N3S — CID 43722116

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N3S/c1-11(16-9-15-10-19-18-17-15)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11,16H,2-5,9H2,1H3
InChIKeyBCPRHUZNQVEDMX-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.27
Rot. Bonds4

About 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine

1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43722116) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43722116
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1csnn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H19N3S/c1-11(16-9-15-10-19-18-17-15)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11,16H,2-5,9H2,1H3
InChIKeyBCPRHUZNQVEDMX-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
2-(2-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663876
1-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663961
1-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664052
2-(3-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43664156
1-(2,5-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674257
1-(2,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43680864
1-(3,4-difluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681012
1-(4-fluorophenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43685514
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43723813
N-(thiadiazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43726987

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43722116) is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine is CC(NCc1csnn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is BCPRHUZNQVEDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(16-9-15-10-19-18-17-15)13-7-6-12-4-2-3-5-14(12)8-13/h6-8,10-11,16H,2-5,9H2,1H3.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine?
1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43722116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).