4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

C16H19BrN2S — CID 103846493

IUPAC4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCCc1cnc(C(C)NC2CCc3c(Br)cccc32)s1
InChIInChI=1S/C16H19BrN2S/c1-3-11-9-18-16(20-11)10(2)19-15-8-7-12-13(15)5-4-6-14(12)17/h4-6,9-10,15,19H,3,7-8H2,1-2H3
InChIKeyNGJIBUOKALCQEI-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.81
Rot. Bonds4

About 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine

4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 103846493) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID103846493
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESCCc1cnc(C(C)NC2CCc3c(Br)cccc32)s1
InChIInChI=1S/C16H19BrN2S/c1-3-11-9-18-16(20-11)10(2)19-15-8-7-12-13(15)5-4-6-14(12)17/h4-6,9-10,15,19H,3,7-8H2,1-2H3
InChIKeyNGJIBUOKALCQEI-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 103846493) is 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is CCc1cnc(C(C)NC2CCc3c(Br)cccc32)s1.
What is the InChIKey of 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is NGJIBUOKALCQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-3-11-9-18-16(20-11)10(2)19-15-8-7-12-13(15)5-4-6-14(12)17/h4-6,9-10,15,19H,3,7-8H2,1-2H3.
What are the key properties of 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 351.31 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103846493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).