2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide

C10H11BrN4OS — CID 13392911

IUPAC2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C10H10N4OS.BrH/c11-9(12)14-10-13-7(5-16-10)6-3-1-2-4-8(6)15;/h1-5,15H,(H4,11,12,13,14);1H
InChIKeySKWUOAPNIHTCRU-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.00
Rot. Bonds2

About 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide

2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (PubChem CID 13392911) has the molecular formula C10H11BrN4OS and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
PubChem CID13392911
Molecular FormulaC10H11BrN4OS
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide
SMILESBr.NC(N)=Nc1nc(-c2ccccc2O)cs1
InChIInChI=1S/C10H10N4OS.BrH/c11-9(12)14-10-13-7(5-16-10)6-3-1-2-4-8(6)15;/h1-5,15H,(H4,11,12,13,14);1H
InChIKeySKWUOAPNIHTCRU-UHFFFAOYSA-N
XLogP2.00
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide (CID 13392911) is 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is Br.NC(N)=Nc1nc(-c2ccccc2O)cs1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
The InChIKey is SKWUOAPNIHTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS.BrH/c11-9(12)14-10-13-7(5-16-10)6-3-1-2-4-8(6)15;/h1-5,15H,(H4,11,12,13,14);1H.
What are the key properties of 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide?
2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide has a molecular weight of 315.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide is sourced from PubChem (CID 13392911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).