1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine

C12H13BrN2S — CID 62830361

IUPAC1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Cc2ccccc2Br)s1
InChIInChI=1S/C12H13BrN2S/c1-14-7-10-8-15-12(16-10)6-9-4-2-3-5-11(9)13/h2-5,8,14H,6-7H2,1H3
InChIKeyBXLYQRUASHOJDT-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 62830361) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID62830361
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(Cc2ccccc2Br)s1
InChIInChI=1S/C12H13BrN2S/c1-14-7-10-8-15-12(16-10)6-9-4-2-3-5-11(9)13/h2-5,8,14H,6-7H2,1H3
InChIKeyBXLYQRUASHOJDT-UHFFFAOYSA-N
XLogP3.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 62830361) is 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1cnc(Cc2ccccc2Br)s1.
What is the InChIKey of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is BXLYQRUASHOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-14-7-10-8-15-12(16-10)6-9-4-2-3-5-11(9)13/h2-5,8,14H,6-7H2,1H3.
What are the key properties of 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-bromophenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 62830361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).