2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine

C16H18N4S — CID 28750643

IUPAC2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
SMILESNCCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1
InChIInChI=1S/C16H18N4S/c17-8-7-15-19-20-10-14(18-16(20)21-15)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8,17H2
InChIKeyBYJADGSIZAHQHW-UHFFFAOYSA-N
MW298.42 g/mol
LogP2.84
Rot. Bonds3

About 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine

2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine (PubChem CID 28750643) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
PubChem CID28750643
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
SMILESNCCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1
InChIInChI=1S/C16H18N4S/c17-8-7-15-19-20-10-14(18-16(20)21-15)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8,17H2
InChIKeyBYJADGSIZAHQHW-UHFFFAOYSA-N
XLogP2.84
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209802
6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95473970
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750647
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020644
2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020637
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
6-(3,4-dichlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209455
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]benzothiazole
CID 19209823
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
2-hexyl-6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209447
[2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 82059877

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine (CID 28750643) is 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine is NCCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1.
What is the InChIKey of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
The InChIKey is BYJADGSIZAHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c17-8-7-15-19-20-10-14(18-16(20)21-15)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8,17H2.
What are the key properties of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine has a molecular weight of 298.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 28750643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).