4-(2-aminophenyl)-1,3-thiazol-2-amine

C9H9N3S — CID 28865398

IUPAC4-(2-aminophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2N)cs1
InChIInChI=1S/C9H9N3S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,10H2,(H2,11,12)
InChIKeySUSHSIYRYCQMFL-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.97
Rot. Bonds1

About 4-(2-aminophenyl)-1,3-thiazol-2-amine

4-(2-aminophenyl)-1,3-thiazol-2-amine (PubChem CID 28865398) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-(2-aminophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminophenyl)-1,3-thiazol-2-amine
PubChem CID28865398
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name4-(2-aminophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2N)cs1
InChIInChI=1S/C9H9N3S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,10H2,(H2,11,12)
InChIKeySUSHSIYRYCQMFL-UHFFFAOYSA-N
XLogP1.97
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminophenyl)-1,3-thiazol-2-amine (CID 28865398) is 4-(2-aminophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2N)cs1.
What is the InChIKey of 4-(2-aminophenyl)-1,3-thiazol-2-amine?
The InChIKey is SUSHSIYRYCQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,10H2,(H2,11,12).
What are the key properties of 4-(2-aminophenyl)-1,3-thiazol-2-amine?
4-(2-aminophenyl)-1,3-thiazol-2-amine has a molecular weight of 191.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 28865398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).