5-(4-aminophenyl)-1,3-thiazol-2-amine

C9H9N3S — CID 605642

IUPAC5-(4-aminophenyl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2cnc(N)s2)cc1
InChIInChI=1S/C9H9N3S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-5H,10H2,(H2,11,12)
InChIKeyCGEBKMQTSUAAMN-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.97
Rot. Bonds1

About 5-(4-aminophenyl)-1,3-thiazol-2-amine

5-(4-aminophenyl)-1,3-thiazol-2-amine (PubChem CID 605642) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-(4-aminophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-1,3-thiazol-2-amine
PubChem CID605642
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-(4-aminophenyl)-1,3-thiazol-2-amine
SMILESNc1ccc(-c2cnc(N)s2)cc1
InChIInChI=1S/C9H9N3S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-5H,10H2,(H2,11,12)
InChIKeyCGEBKMQTSUAAMN-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 5-(4-aminophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-aminophenyl)-1,3-thiazol-2-amine (CID 605642) is 5-(4-aminophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-aminophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-aminophenyl)-1,3-thiazol-2-amine is Nc1ccc(-c2cnc(N)s2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-1,3-thiazol-2-amine?
The InChIKey is CGEBKMQTSUAAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8/h1-5H,10H2,(H2,11,12).
What are the key properties of 5-(4-aminophenyl)-1,3-thiazol-2-amine?
5-(4-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 5-(4-aminophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 605642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).