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

C14H17BrN2S — CID 116968382

IUPACN-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-10(2)16-8-7-14-17-13(9-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUPXQZYNQCDCVSB-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.11
Rot. Bonds5

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

N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (PubChem CID 116968382) has the molecular formula C14H17BrN2S and a molecular weight of 325.27 g/mol. Its IUPAC name is N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
PubChem CID116968382
Molecular FormulaC14H17BrN2S
Molecular Weight325.27 g/mol
Exact Mass324.03
IUPAC NameN-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-10(2)16-8-7-14-17-13(9-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyUPXQZYNQCDCVSB-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-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

2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 116968369
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 79016244
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propanoic acid
CID 116965664
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82103269
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
1-amino-3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116969230
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-1,3-thiazole
CID 79832741
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965075
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
4-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965147

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine (CID 116968382) is N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1nc(-c2ccccc2Br)cs1.
What is the InChIKey of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
The InChIKey is UPXQZYNQCDCVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-10(2)16-8-7-14-17-13(9-18-14)11-5-3-4-6-12(11)15/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine?
N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine has a molecular weight of 325.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 116968382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).