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

C9H9BrN2S — CID 15448626

IUPACN-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccccc1NC1=NCCS1
InChIInChI=1S/C9H9BrN2S/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12)
InChIKeyVTXVDODIIVLDOG-UHFFFAOYSA-N
MW257.16 g/mol
LogP2.96
Rot. Bonds1

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

N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 15448626) has the molecular formula C9H9BrN2S and a molecular weight of 257.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID15448626
Molecular FormulaC9H9BrN2S
Molecular Weight257.16 g/mol
Exact Mass255.97
IUPAC NameN-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccccc1NC1=NCCS1
InChIInChI=1S/C9H9BrN2S/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12)
InChIKeyVTXVDODIIVLDOG-UHFFFAOYSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 15448626) is N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Brc1ccccc1NC1=NCCS1.
What is the InChIKey of N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VTXVDODIIVLDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S/c10-7-3-1-2-4-8(7)12-9-11-5-6-13-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 257.16 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 15448626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).