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

C14H17BrN2S — CID 116865446

IUPAC2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H17BrN2S/c1-14(2,9-16-3)13-17-12(8-18-13)10-5-4-6-11(15)7-10/h4-8,16H,9H2,1-3H3
InChIKeyXXJJZXJKFKRLOM-UHFFFAOYSA-N
MW325.28 g/mol
LogP4.07
Rot. Bonds4

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

2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine (PubChem CID 116865446) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
PubChem CID116865446
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H17BrN2S/c1-14(2,9-16-3)13-17-12(8-18-13)10-5-4-6-11(15)7-10/h4-8,16H,9H2,1-3H3
InChIKeyXXJJZXJKFKRLOM-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

2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865445
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine
CID 116865454
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
N,2-dimethyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116865432
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
2-[5-(3-bromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 84606208
4-(3-bromophenyl)-2-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 79832251
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
3-methyl-3-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 116965174
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine (CID 116865446) is 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is XXJJZXJKFKRLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-14(2,9-16-3)13-17-12(8-18-13)10-5-4-6-11(15)7-10/h4-8,16H,9H2,1-3H3.
What are the key properties of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine?
2-[4-(3-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-(3-bromophenyl)-1,3-thiazol-2-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 116865446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).