4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine

C12H11BrN2S — CID 156849994

IUPAC4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)c(C2CC2)s1
InChIInChI=1S/C12H11BrN2S/c13-9-5-3-7(4-6-9)10-11(8-1-2-8)16-12(14)15-10/h3-6,8H,1-2H2,(H2,14,15)
InChIKeyIPCQDEPAPNREGV-UHFFFAOYSA-N
MW295.20 g/mol
LogP4.03
Rot. Bonds2

About 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine

4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 156849994) has the molecular formula C12H11BrN2S and a molecular weight of 295.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine
PubChem CID156849994
Molecular FormulaC12H11BrN2S
Molecular Weight295.20 g/mol
Exact Mass293.98
IUPAC Name4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(Br)cc2)c(C2CC2)s1
InChIInChI=1S/C12H11BrN2S/c13-9-5-3-7(4-6-9)10-11(8-1-2-8)16-12(14)15-10/h3-6,8H,1-2H2,(H2,14,15)
InChIKeyIPCQDEPAPNREGV-UHFFFAOYSA-N
XLogP4.03
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine (CID 156849994) is 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine is Nc1nc(-c2ccc(Br)cc2)c(C2CC2)s1.
What is the InChIKey of 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is IPCQDEPAPNREGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c13-9-5-3-7(4-6-9)10-11(8-1-2-8)16-12(14)15-10/h3-6,8H,1-2H2,(H2,14,15).
What are the key properties of 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine?
4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 295.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 156849994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).