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

C13H8BrClN4S — CID 91664221

IUPAC5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESNc1ncc(Br)c(-c2cnc(-c3ccccc3Cl)s2)n1
InChIInChI=1S/C13H8BrClN4S/c14-8-5-18-13(16)19-11(8)10-6-17-12(20-10)7-3-1-2-4-9(7)15/h1-6H,(H2,16,18,19)
InChIKeyGBSWZKTUMNXKKX-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.27
Rot. Bonds2

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

5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 91664221) has the molecular formula C13H8BrClN4S and a molecular weight of 367.66 g/mol. Its IUPAC name is 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID91664221
Molecular FormulaC13H8BrClN4S
Molecular Weight367.66 g/mol
Exact Mass365.93
IUPAC Name5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESNc1ncc(Br)c(-c2cnc(-c3ccccc3Cl)s2)n1
InChIInChI=1S/C13H8BrClN4S/c14-8-5-18-13(16)19-11(8)10-6-17-12(20-10)7-3-1-2-4-9(7)15/h1-6H,(H2,16,18,19)
InChIKeyGBSWZKTUMNXKKX-UHFFFAOYSA-N
XLogP4.27
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 91664221) is 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is Nc1ncc(Br)c(-c2cnc(-c3ccccc3Cl)s2)n1.
What is the InChIKey of 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is GBSWZKTUMNXKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4S/c14-8-5-18-13(16)19-11(8)10-6-17-12(20-10)7-3-1-2-4-9(7)15/h1-6H,(H2,16,18,19).
What are the key properties of 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine?
5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 367.66 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 91664221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).