5-phenyl-1,2-thiazol-3-amine

C9H8N2S — CID 21271867

IUPAC5-phenyl-1,2-thiazol-3-amine
SMILESNc1cc(-c2ccccc2)sn1
InChIInChI=1S/C9H8N2S/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChIKeyVLQBYPSKWKIMPS-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.39
Rot. Bonds1

About 5-phenyl-1,2-thiazol-3-amine

5-phenyl-1,2-thiazol-3-amine (PubChem CID 21271867) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 5-phenyl-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-phenyl-1,2-thiazol-3-amine
PubChem CID21271867
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name5-phenyl-1,2-thiazol-3-amine
SMILESNc1cc(-c2ccccc2)sn1
InChIInChI=1S/C9H8N2S/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11)
InChIKeyVLQBYPSKWKIMPS-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,2-thiazol-3-amine?
The IUPAC name of 5-phenyl-1,2-thiazol-3-amine (CID 21271867) is 5-phenyl-1,2-thiazol-3-amine.
What is the SMILES notation for 5-phenyl-1,2-thiazol-3-amine?
The canonical SMILES for 5-phenyl-1,2-thiazol-3-amine is Nc1cc(-c2ccccc2)sn1.
What is the InChIKey of 5-phenyl-1,2-thiazol-3-amine?
The InChIKey is VLQBYPSKWKIMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-9-6-8(12-11-9)7-4-2-1-3-5-7/h1-6H,(H2,10,11).
What are the key properties of 5-phenyl-1,2-thiazol-3-amine?
5-phenyl-1,2-thiazol-3-amine has a molecular weight of 176.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2-thiazol-3-amine is sourced from PubChem (CID 21271867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).