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

C14H17BrN2S — CID 116865454

IUPAC2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-14(2,9-16-3)13-17-12(8-18-13)10-6-4-5-7-11(10)15/h4-8,16H,9H2,1-3H3
InChIKeyFLQTWIIGIVYXGK-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.07
Rot. Bonds4

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

2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine (PubChem CID 116865454) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
PubChem CID116865454
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H17BrN2S/c1-14(2,9-16-3)13-17-12(8-18-13)10-6-4-5-7-11(10)15/h4-8,16H,9H2,1-3H3
InChIKeyFLQTWIIGIVYXGK-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865446
4-(2-bromophenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 112700792
N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116865432
2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine
CID 103097106
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]propan-2-ol
CID 116966687
4-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-1,3-thiazole
CID 79831158
2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 61338037
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 116968369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine (CID 116865454) is 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is FLQTWIIGIVYXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-14(2,9-16-3)13-17-12(8-18-13)10-6-4-5-7-11(10)15/h4-8,16H,9H2,1-3H3.
What are the key properties of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 325.28 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 116865454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).