2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

C16H20N2S — CID 65419422

IUPAC2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ncsc1CCC1(N)CCc2ccccc2C1
InChIInChI=1S/C16H20N2S/c1-12-15(19-11-18-12)7-9-16(17)8-6-13-4-2-3-5-14(13)10-16/h2-5,11H,6-10,17H2,1H3
InChIKeyREYUHEOIBRTZRB-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.27
Rot. Bonds3

About 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine

2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 65419422) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID65419422
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1ncsc1CCC1(N)CCc2ccccc2C1
InChIInChI=1S/C16H20N2S/c1-12-15(19-11-18-12)7-9-16(17)8-6-13-4-2-3-5-14(13)10-16/h2-5,11H,6-10,17H2,1H3
InChIKeyREYUHEOIBRTZRB-UHFFFAOYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 65419422) is 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is Cc1ncsc1CCC1(N)CCc2ccccc2C1.
What is the InChIKey of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is REYUHEOIBRTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-12-15(19-11-18-12)7-9-16(17)8-6-13-4-2-3-5-14(13)10-16/h2-5,11H,6-10,17H2,1H3.
What are the key properties of 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 272.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 65419422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).