N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine

C15H20BrN3S — CID 62412254

IUPACN-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN(C)Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C15H20BrN3S/c1-3-17-8-15-18-14(11-20-15)10-19(2)9-12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyRFSFDGROCIXGKZ-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.65
Rot. Bonds7

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

N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62412254) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62412254
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC NameN-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(CN(C)Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C15H20BrN3S/c1-3-17-8-15-18-14(11-20-15)10-19(2)9-12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3
InChIKeyRFSFDGROCIXGKZ-UHFFFAOYSA-N
XLogP3.65
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62412253
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 62412429
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462365
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 61281443
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 65488457
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413591
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62412531
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine (CID 62412254) is N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(CN(C)Cc2ccc(Br)cc2)cs1.
What is the InChIKey of N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is RFSFDGROCIXGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-3-17-8-15-18-14(11-20-15)10-19(2)9-12-4-6-13(16)7-5-12/h4-7,11,17H,3,8-10H2,1-2H3.
What are the key properties of N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 354.32 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62412254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).