4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine

C12H13BrN2S — CID 79399432

IUPAC4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCN(CCc1ccccc1)c1nc(Br)cs1
InChIInChI=1S/C12H13BrN2S/c1-15(12-14-11(13)9-16-12)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyYWRRVWFUOXIILC-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.58
Rot. Bonds4

About 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine

4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine (PubChem CID 79399432) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
PubChem CID79399432
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
SMILESCN(CCc1ccccc1)c1nc(Br)cs1
InChIInChI=1S/C12H13BrN2S/c1-15(12-14-11(13)9-16-12)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyYWRRVWFUOXIILC-UHFFFAOYSA-N
XLogP3.58
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine (CID 79399432) is 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine is CN(CCc1ccccc1)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
The InChIKey is YWRRVWFUOXIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-15(12-14-11(13)9-16-12)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine?
4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine has a molecular weight of 297.22 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79399432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).