N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C13H15BrN2S — CID 60683168

IUPACN-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN2S/c1-9(2)15-7-12-8-17-13(16-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyDRBVAOMOKVNKDR-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.07
Rot. Bonds4

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

N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 60683168) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID60683168
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN2S/c1-9(2)15-7-12-8-17-13(16-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyDRBVAOMOKVNKDR-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281494
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 105379278
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096144
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 82124643
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60641063
N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096142
1-[2-(4-butan-2-ylphenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 116868218
N-[[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107935485
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpentan-2-amine
CID 61463562
(2S)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 79254600
4,4,4-trifluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 104854722

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 60683168) is N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is DRBVAOMOKVNKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(2)15-7-12-8-17-13(16-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 311.25 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 60683168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).