1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C16H15BrN2S — CID 104997244

IUPAC1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2ccc3cc(Br)ccc3c2)cs1
InChIInChI=1S/C16H15BrN2S/c1-10-19-15(9-20-10)8-16(18)13-3-2-12-7-14(17)5-4-11(12)6-13/h2-7,9,16H,8,18H2,1H3
InChIKeyARMXSCMMTICDHA-UHFFFAOYSA-N
MW347.28 g/mol
LogP4.61
Rot. Bonds3

About 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 104997244) has the molecular formula C16H15BrN2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID104997244
Molecular FormulaC16H15BrN2S
Molecular Weight347.28 g/mol
Exact Mass346.01
IUPAC Name1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(CC(N)c2ccc3cc(Br)ccc3c2)cs1
InChIInChI=1S/C16H15BrN2S/c1-10-19-15(9-20-10)8-16(18)13-3-2-12-7-14(17)5-4-11(12)6-13/h2-7,9,16H,8,18H2,1H3
InChIKeyARMXSCMMTICDHA-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997036
1-(3-iodophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996961
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
[1-(4-bromo-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105316087
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104996943
2-(4-bromophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 79442011
1-(6-bromonaphthalen-2-yl)-2-propan-2-yloxyethanamine
CID 105013461
1-(6-bromonaphthalen-2-yl)-2-(furan-2-yl)ethanamine
CID 105029613
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-1-naphthalen-2-ylethanamine
CID 62799174
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 62798822
1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997058

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 104997244) is 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(CC(N)c2ccc3cc(Br)ccc3c2)cs1.
What is the InChIKey of 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is ARMXSCMMTICDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2S/c1-10-19-15(9-20-10)8-16(18)13-3-2-12-7-14(17)5-4-11(12)6-13/h2-7,9,16H,8,18H2,1H3.
What are the key properties of 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 347.28 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromonaphthalen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 104997244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).