2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine

C10H10BrN5S — CID 88747810

IUPAC2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cc(N)ccc2Br)cs1
InChIInChI=1S/C10H10BrN5S/c11-7-2-1-5(12)3-6(7)8-4-17-10(15-8)16-9(13)14/h1-4H,12H2,(H4,13,14,15,16)
InChIKeyFQCAORUPKOKQDB-UHFFFAOYSA-N
MW312.20 g/mol
LogP2.06
Rot. Bonds2

About 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine

2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine (PubChem CID 88747810) has the molecular formula C10H10BrN5S and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine
PubChem CID88747810
Molecular FormulaC10H10BrN5S
Molecular Weight312.20 g/mol
Exact Mass310.98
IUPAC Name2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine
SMILESNC(N)=Nc1nc(-c2cc(N)ccc2Br)cs1
InChIInChI=1S/C10H10BrN5S/c11-7-2-1-5(12)3-6(7)8-4-17-10(15-8)16-9(13)14/h1-4H,12H2,(H4,13,14,15,16)
InChIKeyFQCAORUPKOKQDB-UHFFFAOYSA-N
XLogP2.06
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine (CID 88747810) is 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine is NC(N)=Nc1nc(-c2cc(N)ccc2Br)cs1.
What is the InChIKey of 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine?
The InChIKey is FQCAORUPKOKQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5S/c11-7-2-1-5(12)3-6(7)8-4-17-10(15-8)16-9(13)14/h1-4H,12H2,(H4,13,14,15,16).
What are the key properties of 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine?
2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine has a molecular weight of 312.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2-bromophenyl)-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 88747810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).