1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

C14H17BrN2S — CID 61282183

IUPAC1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnc(C)s1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-3-14(11-5-4-6-12(15)7-11)17-9-13-8-16-10(2)18-13/h4-8,14,17H,3,9H2,1-2H3
InChIKeyROZBXANVDDHXFA-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.45
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine

1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (PubChem CID 61282183) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
PubChem CID61282183
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnc(C)s1)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S/c1-3-14(11-5-4-6-12(15)7-11)17-9-13-8-16-10(2)18-13/h4-8,14,17H,3,9H2,1-2H3
InChIKeyROZBXANVDDHXFA-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
CID 84600935
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1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-bromophenyl)propan-1-amine
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N',N'-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylethane-1,2-diamine
CID 60777946
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 102612860
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387901
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
3-[1-(3-bromophenyl)propylamino]-1,1-difluoropropan-2-ol
CID 113262546

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine (CID 61282183) is 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is CCC(NCc1cnc(C)s1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is ROZBXANVDDHXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-14(11-5-4-6-12(15)7-11)17-9-13-8-16-10(2)18-13/h4-8,14,17H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine?
1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 61282183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).