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

C14H16BrClN2S — CID 66161070

IUPACN-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C14H16BrClN2S/c1-3-6-17-9(2)13-8-18-14(19-13)11-7-10(16)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3
InChIKeyBARVKYUQYGYIHM-UHFFFAOYSA-N
MW359.72 g/mol
LogP5.29
Rot. Bonds5

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

N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 66161070) has the molecular formula C14H16BrClN2S and a molecular weight of 359.72 g/mol. Its IUPAC name is N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID66161070
Molecular FormulaC14H16BrClN2S
Molecular Weight359.72 g/mol
Exact Mass357.99
IUPAC NameN-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2cc(Cl)ccc2Br)s1
InChIInChI=1S/C14H16BrClN2S/c1-3-6-17-9(2)13-8-18-14(19-13)11-7-10(16)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3
InChIKeyBARVKYUQYGYIHM-UHFFFAOYSA-N
XLogP5.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.72
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66158910
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 66161660
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056
N-[1-[2-(3-chloro-4-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 65022602
N-[1-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106849418
N-[1-[2-(2-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 79978094
N-[1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62653753
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62652298
N-[1-[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651552
N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651370
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 66161070) is N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(-c2cc(Cl)ccc2Br)s1.
What is the InChIKey of N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is BARVKYUQYGYIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2S/c1-3-6-17-9(2)13-8-18-14(19-13)11-7-10(16)4-5-12(11)15/h4-5,7-9,17H,3,6H2,1-2H3.
What are the key properties of N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 359.72 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 66161070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).