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

C13H14BrClN2S — CID 81274693

IUPAC5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cc(Cl)ccc1Br
InChIInChI=1S/C13H14BrClN2S/c1-2-3-11-12(18-13(16)17-11)7-8-6-9(15)4-5-10(8)14/h4-6H,2-3,7H2,1H3,(H2,16,17)
InChIKeyGQWDVOOLHDPJMS-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.68
Rot. Bonds4

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

5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine (PubChem CID 81274693) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
PubChem CID81274693
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cc(Cl)ccc1Br
InChIInChI=1S/C13H14BrClN2S/c1-2-3-11-12(18-13(16)17-11)7-8-6-9(15)4-5-10(8)14/h4-6H,2-3,7H2,1H3,(H2,16,17)
InChIKeyGQWDVOOLHDPJMS-UHFFFAOYSA-N
XLogP4.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine (CID 81274693) is 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N)sc1Cc1cc(Cl)ccc1Br.
What is the InChIKey of 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
The InChIKey is GQWDVOOLHDPJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2S/c1-2-3-11-12(18-13(16)17-11)7-8-6-9(15)4-5-10(8)14/h4-6H,2-3,7H2,1H3,(H2,16,17).
What are the key properties of 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine?
5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine has a molecular weight of 345.69 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-chlorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 81274693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).