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

C16H17N3S — CID 107648050

IUPAC5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H17N3S/c1-3-15-18-19-16(20-15)17-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-11H,3H2,1-2H3,(H,17,19)
InChIKeyCDHFGVLATWUXOQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.43
Rot. Bonds4

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

5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648050) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID107648050
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)c2ccc3ccccc3c2)s1
InChIInChI=1S/C16H17N3S/c1-3-15-18-19-16(20-15)17-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-11H,3H2,1-2H3,(H,17,19)
InChIKeyCDHFGVLATWUXOQ-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647988
3-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzonitrile
CID 107647770
5-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
CID 107647887
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
4-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
CID 107648074
3-(methoxymethyl)-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352580
3-ethyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43099352
N-[1-(3-methoxyphenyl)ethyl]-5-[4-[5-[1-(3-methoxyphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767869
N-[1-(4-bromo-2-chlorophenyl)ethyl]-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647955
3-cyclopropyl-N-(1-naphthalen-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 133352605
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260425
N-(1-naphthalen-2-ylethyl)pentan-3-amine
CID 43100971

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 107648050) is 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)c2ccc3ccccc3c2)s1.
What is the InChIKey of 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CDHFGVLATWUXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-3-15-18-19-16(20-15)17-11(2)13-9-8-12-6-4-5-7-14(12)10-13/h4-11H,3H2,1-2H3,(H,17,19).
What are the key properties of 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 283.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-naphthalen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).