1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

C14H14BrN3S — CID 60781391

IUPAC1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1nc2sccn2c1CNCc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3S/c1-10-13(18-6-7-19-14(18)17-10)9-16-8-11-2-4-12(15)5-3-11/h2-7,16H,8-9H2,1H3
InChIKeyWHTMNDCENAXLFD-UHFFFAOYSA-N
MW336.26 g/mol
LogP3.76
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine

1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (PubChem CID 60781391) has the molecular formula C14H14BrN3S and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
PubChem CID60781391
Molecular FormulaC14H14BrN3S
Molecular Weight336.26 g/mol
Exact Mass335.01
IUPAC Name1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine
SMILESCc1nc2sccn2c1CNCc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3S/c1-10-13(18-6-7-19-14(18)17-10)9-16-8-11-2-4-12(15)5-3-11/h2-7,16H,8-9H2,1H3
InChIKeyWHTMNDCENAXLFD-UHFFFAOYSA-N
XLogP3.76
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60913625
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
CID 43756411
4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834214
2-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]prop-2-en-1-amine
CID 114615701
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propanenitrile
CID 43771524
4-bromo-2,6-difluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 65467947
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-thiophen-2-ylethanamine
CID 43763585
3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]propane-1,2-diol
CID 66178002
N-[(1-methylcyclobutyl)methyl]-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 103735955
N',N'-diethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 43761768

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine (CID 60781391) is 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is Cc1nc2sccn2c1CNCc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
The InChIKey is WHTMNDCENAXLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3S/c1-10-13(18-6-7-19-14(18)17-10)9-16-8-11-2-4-12(15)5-3-11/h2-7,16H,8-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine?
1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine has a molecular weight of 336.26 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 60781391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).