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

C12H13BrN2S — CID 63296241

IUPACN-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccc(NC2=NCC(C3CC3)S2)cc1
InChIInChI=1S/C12H13BrN2S/c13-9-3-5-10(6-4-9)15-12-14-7-11(16-12)8-1-2-8/h3-6,8,11H,1-2,7H2,(H,14,15)
InChIKeyYPMGDVUGQBTZFY-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.74
Rot. Bonds2

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

N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296241) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296241
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC NameN-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccc(NC2=NCC(C3CC3)S2)cc1
InChIInChI=1S/C12H13BrN2S/c13-9-3-5-10(6-4-9)15-12-14-7-11(16-12)8-1-2-8/h3-6,8,11H,1-2,7H2,(H,14,15)
InChIKeyYPMGDVUGQBTZFY-UHFFFAOYSA-N
XLogP3.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine (CID 63296241) is N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is Brc1ccc(NC2=NCC(C3CC3)S2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YPMGDVUGQBTZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c13-9-3-5-10(6-4-9)15-12-14-7-11(16-12)8-1-2-8/h3-6,8,11H,1-2,7H2,(H,14,15).
What are the key properties of N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 297.22 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).