1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine

C16H15BrN2OS — CID 134033862

IUPAC1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1csc(-c2ccco2)n1)Cc1ccccc1Br
InChIInChI=1S/C16H15BrN2OS/c1-19(9-12-5-2-3-6-14(12)17)10-13-11-21-16(18-13)15-7-4-8-20-15/h2-8,11H,9-10H2,1H3
InChIKeyDMQQFOXPJCBZMD-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.80
Rot. Bonds5

About 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine

1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 134033862) has the molecular formula C16H15BrN2OS and a molecular weight of 363.28 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
PubChem CID134033862
Molecular FormulaC16H15BrN2OS
Molecular Weight363.28 g/mol
Exact Mass362.01
IUPAC Name1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
SMILESCN(Cc1csc(-c2ccco2)n1)Cc1ccccc1Br
InChIInChI=1S/C16H15BrN2OS/c1-19(9-12-5-2-3-6-14(12)17)10-13-11-21-16(18-13)15-7-4-8-20-15/h2-8,11H,9-10H2,1H3
InChIKeyDMQQFOXPJCBZMD-UHFFFAOYSA-N
XLogP4.80
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]butan-2-ol
CID 111488713
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 134033866
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111123359
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 86917359
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
1-[ethyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]-2-methylpropan-2-ol
CID 78964237
4-[[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl-propan-2-ylamino]methyl]benzonitrile
CID 86869612
2-[cyclobutyl-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 102676857
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2R)-oxolan-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 51952592
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]methanamine
CID 22196319

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine (CID 134033862) is 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine is CN(Cc1csc(-c2ccco2)n1)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is DMQQFOXPJCBZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2OS/c1-19(9-12-5-2-3-6-14(12)17)10-13-11-21-16(18-13)15-7-4-8-20-15/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine?
1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 363.28 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 134033862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).