N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine

C16H21BrN2S — CID 114365306

IUPACN-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cccc(Br)c2)nc1C(C)C
InChIInChI=1S/C16H21BrN2S/c1-4-8-18-10-14-15(11(2)3)19-16(20-14)12-6-5-7-13(17)9-12/h5-7,9,11,18H,4,8,10H2,1-3H3
InChIKeyHKFXGZOPLBWVMJ-UHFFFAOYSA-N
MW353.33 g/mol
LogP5.20
Rot. Bonds6

About N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 114365306) has the molecular formula C16H21BrN2S and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID114365306
Molecular FormulaC16H21BrN2S
Molecular Weight353.33 g/mol
Exact Mass352.06
IUPAC NameN-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(-c2cccc(Br)c2)nc1C(C)C
InChIInChI=1S/C16H21BrN2S/c1-4-8-18-10-14-15(11(2)3)19-16(20-14)12-6-5-7-13(17)9-12/h5-7,9,11,18H,4,8,10H2,1-3H3
InChIKeyHKFXGZOPLBWVMJ-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.33
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]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-(4-ethylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82435037
N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
N-[[2-(3-bromophenyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364270
3-[4-(2-methylpropyl)-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921941
N-[[2-(4-fluoro-2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365280
N-[[2-(3-ethyl-4-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365234
N-[(2-benzyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 82433773
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366575
3-[4-propyl-5-(propylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921876
1-[2-(3-fluorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364905
1-[2-(3-chlorophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364723
N-[[4-propan-2-yl-2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365080

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 114365306) is N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(-c2cccc(Br)c2)nc1C(C)C.
What is the InChIKey of N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is HKFXGZOPLBWVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2S/c1-4-8-18-10-14-15(11(2)3)19-16(20-14)12-6-5-7-13(17)9-12/h5-7,9,11,18H,4,8,10H2,1-3H3.
What are the key properties of N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 353.33 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromophenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 114365306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).