6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine

C17H21BrN2S — CID 63632916

IUPAC6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)(C)c1csc(C2(N)CCc3cc(Br)ccc3C2)n1
InChIInChI=1S/C17H21BrN2S/c1-16(2,3)14-10-21-15(20-14)17(19)7-6-11-8-13(18)5-4-12(11)9-17/h4-5,8,10H,6-7,9,19H2,1-3H3
InChIKeyJECAURCQHSDVAT-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.55
Rot. Bonds1

About 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine

6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63632916) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63632916
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)(C)c1csc(C2(N)CCc3cc(Br)ccc3C2)n1
InChIInChI=1S/C17H21BrN2S/c1-16(2,3)14-10-21-15(20-14)17(19)7-6-11-8-13(18)5-4-12(11)9-17/h4-5,8,10H,6-7,9,19H2,1-3H3
InChIKeyJECAURCQHSDVAT-UHFFFAOYSA-N
XLogP4.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 63632916) is 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is CC(C)(C)c1csc(C2(N)CCc3cc(Br)ccc3C2)n1.
What is the InChIKey of 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is JECAURCQHSDVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-16(2,3)14-10-21-15(20-14)17(19)7-6-11-8-13(18)5-4-12(11)9-17/h4-5,8,10H,6-7,9,19H2,1-3H3.
What are the key properties of 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 365.34 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63632916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).