4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine

C11H11BrN2S — CID 8963860

IUPAC4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C11H11BrN2S/c1-14(2)11-13-10(7-15-11)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKeyGKEQMCRNLNYHAI-UHFFFAOYSA-N
MW283.19 g/mol
LogP3.64
Rot. Bonds2

About 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine

4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 8963860) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID8963860
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C11H11BrN2S/c1-14(2)11-13-10(7-15-11)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKeyGKEQMCRNLNYHAI-UHFFFAOYSA-N
XLogP3.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine (CID 8963860) is 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is GKEQMCRNLNYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-14(2)11-13-10(7-15-11)8-5-3-4-6-9(8)12/h3-7H,1-2H3.
What are the key properties of 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine?
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 283.19 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8963860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).