N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C17H23BrN2S — CID 104842020

IUPACN-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(Cc2ccc(Br)cc2)sc1CNC(C)(C)C
InChIInChI=1S/C17H23BrN2S/c1-5-14-15(11-19-17(2,3)4)21-16(20-14)10-12-6-8-13(18)9-7-12/h6-9,19H,5,10-11H2,1-4H3
InChIKeyXLDFSENQEQQKHO-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.95
Rot. Bonds5

About N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104842020) has the molecular formula C17H23BrN2S and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID104842020
Molecular FormulaC17H23BrN2S
Molecular Weight367.36 g/mol
Exact Mass366.08
IUPAC NameN-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(Cc2ccc(Br)cc2)sc1CNC(C)(C)C
InChIInChI=1S/C17H23BrN2S/c1-5-14-15(11-19-17(2,3)4)21-16(20-14)10-12-6-8-13(18)9-7-12/h6-9,19H,5,10-11H2,1-4H3
InChIKeyXLDFSENQEQQKHO-UHFFFAOYSA-N
XLogP4.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 104842020) is N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCc1nc(Cc2ccc(Br)cc2)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XLDFSENQEQQKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2S/c1-5-14-15(11-19-17(2,3)4)21-16(20-14)10-12-6-8-13(18)9-7-12/h6-9,19H,5,10-11H2,1-4H3.
What are the key properties of N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 367.36 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104842020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).