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

C10H8BrClN2S — CID 91597758

IUPAC4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(Cl)cc2Br)cs1
InChIInChI=1S/C10H8BrClN2S/c11-9-4-7(12)2-1-6(9)3-8-5-15-10(13)14-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyIOGMKQAKVJPSMS-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.73
Rot. Bonds2

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

4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 91597758) has the molecular formula C10H8BrClN2S and a molecular weight of 303.61 g/mol. Its IUPAC name is 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID91597758
Molecular FormulaC10H8BrClN2S
Molecular Weight303.61 g/mol
Exact Mass301.93
IUPAC Name4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(Cl)cc2Br)cs1
InChIInChI=1S/C10H8BrClN2S/c11-9-4-7(12)2-1-6(9)3-8-5-15-10(13)14-8/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyIOGMKQAKVJPSMS-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 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 91597758) is 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2ccc(Cl)cc2Br)cs1.
What is the InChIKey of 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is IOGMKQAKVJPSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2S/c11-9-4-7(12)2-1-6(9)3-8-5-15-10(13)14-8/h1-2,4-5H,3H2,(H2,13,14).
What are the key properties of 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
4-[(2-bromo-4-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 4-[(2-bromo-4-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91597758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).