5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine

C10H8BrClN2S — CID 16778529

IUPAC5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C10H8BrClN2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyULZSVWIOICNYTG-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.73
Rot. Bonds2

About 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine

5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 16778529) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID16778529
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C10H8BrClN2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyULZSVWIOICNYTG-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 16778529) is 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2ccc(Br)cc2Cl)s1.
What is the InChIKey of 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ULZSVWIOICNYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c11-7-2-1-6(9(12)4-7)3-8-5-14-10(13)15-8/h1-2,4-5H,3H2,(H2,13,14).
What are the key properties of 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 303.61 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16778529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).