3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine

C17H17N3S — CID 133352605

IUPAC3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N3S/c1-11(18-17-19-16(20-21-17)13-7-8-13)14-9-6-12-4-2-3-5-15(12)10-14/h2-6,9-11,13H,7-8H2,1H3,(H,18,19,20)
InChIKeyLZDHLHXTYFWBMI-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.74
Rot. Bonds4

About 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133352605) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133352605
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C2CC2)ns1)c1ccc2ccccc2c1
InChIInChI=1S/C17H17N3S/c1-11(18-17-19-16(20-21-17)13-7-8-13)14-9-6-12-4-2-3-5-15(12)10-14/h2-6,9-11,13H,7-8H2,1H3,(H,18,19,20)
InChIKeyLZDHLHXTYFWBMI-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271478
3-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,2,4-thiadiazol-5-amine
CID 133335502
3-cyclopropyl-N-(2-methyl-1-phenylpropyl)-1,2,4-thiadiazol-5-amine
CID 133358780
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352580
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277160
3-cyclopropyl-N-(3-methylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65271665
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
3-cyclobutyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268424
3-cyclopropyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103943106
3-cycloheptyl-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65423064
3-cyclopropyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 103946697
5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648050

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine (CID 133352605) is 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C2CC2)ns1)c1ccc2ccccc2c1.
What is the InChIKey of 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LZDHLHXTYFWBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11(18-17-19-16(20-21-17)13-7-8-13)14-9-6-12-4-2-3-5-15(12)10-14/h2-6,9-11,13H,7-8H2,1H3,(H,18,19,20).
What are the key properties of 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 295.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).