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

C15H18BrClN2S — CID 115568392

IUPACN-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccc(Cl)c(Br)c2)sc1CNCC(C)C
InChIInChI=1S/C15H18BrClN2S/c1-9(2)7-18-8-14-10(3)19-15(20-14)11-4-5-13(17)12(16)6-11/h4-6,9,18H,7-8H2,1-3H3
InChIKeyKFLWNFJIHTYNNG-UHFFFAOYSA-N
MW373.75 g/mol
LogP5.28
Rot. Bonds5

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

N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 115568392) has the molecular formula C15H18BrClN2S and a molecular weight of 373.75 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID115568392
Molecular FormulaC15H18BrClN2S
Molecular Weight373.75 g/mol
Exact Mass372.01
IUPAC NameN-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nc(-c2ccc(Cl)c(Br)c2)sc1CNCC(C)C
InChIInChI=1S/C15H18BrClN2S/c1-9(2)7-18-8-14-10(3)19-15(20-14)11-4-5-13(17)12(16)6-11/h4-6,9,18H,7-8H2,1-3H3
InChIKeyKFLWNFJIHTYNNG-UHFFFAOYSA-N
XLogP5.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.75
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115568387
N-[[2-(3-bromo-4-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114365441
N-[[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82800759
2-(3-bromo-4-chlorophenyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136920385
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404611
N-[[2-(3-bromo-4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367364
N-[[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994715
N-[[2-(3-bromo-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107915395
2-methyl-N-[(4-methyl-2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63990435
N-[[2-(3,4-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842156
5-bromo-2-(3,4-dichlorophenyl)-4-methyl-1,3-thiazole
CID 116887927
N-[[2-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404625

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 115568392) is N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is Cc1nc(-c2ccc(Cl)c(Br)c2)sc1CNCC(C)C.
What is the InChIKey of N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KFLWNFJIHTYNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2S/c1-9(2)7-18-8-14-10(3)19-15(20-14)11-4-5-13(17)12(16)6-11/h4-6,9,18H,7-8H2,1-3H3.
What are the key properties of N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 373.75 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 115568392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).