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

C16H19BrN2S — CID 63632749

IUPAC6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)c1csc(C2(N)CCc3cc(Br)ccc3C2)n1
InChIInChI=1S/C16H19BrN2S/c1-10(2)14-9-20-15(19-14)16(18)6-5-11-7-13(17)4-3-12(11)8-16/h3-4,7,9-10H,5-6,8,18H2,1-2H3
InChIKeyMRAWTEPITMGOBC-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.37
Rot. Bonds2

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

6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63632749) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63632749
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)c1csc(C2(N)CCc3cc(Br)ccc3C2)n1
InChIInChI=1S/C16H19BrN2S/c1-10(2)14-9-20-15(19-14)16(18)6-5-11-7-13(17)4-3-12(11)8-16/h3-4,7,9-10H,5-6,8,18H2,1-2H3
InChIKeyMRAWTEPITMGOBC-UHFFFAOYSA-N
XLogP4.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632916
1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclooctan-1-amine
CID 61332454
6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632062
1,1-dioxo-4-(4-propan-2-yl-1,3-thiazol-2-yl)thian-4-amine
CID 54979966
4,4-dimethyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cycloheptan-1-amine
CID 65086224
6-bromo-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63630641
6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632239
3-methoxy-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 106873361
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63630629
[1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclobutyl]methanamine
CID 105464460
2,2-dimethyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-3H-chromen-4-amine
CID 81140080
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 63632749) is 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is CC(C)c1csc(C2(N)CCc3cc(Br)ccc3C2)n1.
What is the InChIKey of 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is MRAWTEPITMGOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-10(2)14-9-20-15(19-14)16(18)6-5-11-7-13(17)4-3-12(11)8-16/h3-4,7,9-10H,5-6,8,18H2,1-2H3.
What are the key properties of 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine?
6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 351.31 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63632749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).