N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

C15H19BrN2OS — CID 105030364

IUPACN-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H19BrN2OS/c1-3-6-18-14(8-12-9-17-10-20-12)11-4-5-15(19-2)13(16)7-11/h4-5,7,9-10,14,18H,3,6,8H2,1-2H3
InChIKeyCTYBYXGUFKPBNZ-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.20
Rot. Bonds7

About N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine

N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 105030364) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID105030364
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cncs1)c1ccc(OC)c(Br)c1
InChIInChI=1S/C15H19BrN2OS/c1-3-6-18-14(8-12-9-17-10-20-12)11-4-5-15(19-2)13(16)7-11/h4-5,7,9-10,14,18H,3,6,8H2,1-2H3
InChIKeyCTYBYXGUFKPBNZ-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-N-propylheptan-1-amine
CID 114752425
N-[1-(3-bromo-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030516
N-[1-(2-bromophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642896
N-[1-(3-bromo-5-fluorophenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112643264
N-[1-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013061
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030306
N-[2-(4-bromothiophen-2-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62606210
N-[1-(2-bromo-3-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107985343
N-[1-(3-bromo-4-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207350
3-[(3-bromo-4-methoxyphenyl)-(propylamino)methyl]pyridin-4-amine
CID 106950927
N-[1-(2,4-dimethylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030701
N-[1-pyrimidin-2-yl-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 112642835

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 105030364) is N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1cncs1)c1ccc(OC)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is CTYBYXGUFKPBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-3-6-18-14(8-12-9-17-10-20-12)11-4-5-15(19-2)13(16)7-11/h4-5,7,9-10,14,18H,3,6,8H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine?
N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 355.30 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methoxyphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105030364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).