4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine

C13H15BrN2O2S — CID 3788076

IUPAC4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1cc(Br)c(-c2csc(N)n2)cc1OCC
InChIInChI=1S/C13H15BrN2O2S/c1-3-17-11-5-8(10-7-19-13(15)16-10)9(14)6-12(11)18-4-2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyBEKVBDQJNYUPFS-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.95
Rot. Bonds5

About 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine

4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 3788076) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID3788076
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1cc(Br)c(-c2csc(N)n2)cc1OCC
InChIInChI=1S/C13H15BrN2O2S/c1-3-17-11-5-8(10-7-19-13(15)16-10)9(14)6-12(11)18-4-2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyBEKVBDQJNYUPFS-UHFFFAOYSA-N
XLogP3.95
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine (CID 3788076) is 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine is CCOc1cc(Br)c(-c2csc(N)n2)cc1OCC.
What is the InChIKey of 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is BEKVBDQJNYUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-3-17-11-5-8(10-7-19-13(15)16-10)9(14)6-12(11)18-4-2/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine?
4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 343.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,5-diethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 3788076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).