4-(1H-indol-3-yl)-1,3-thiazol-2-amine

C11H9N3S — CID 804966

IUPAC4-(1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C11H9N3S/c12-11-14-10(6-15-11)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H,(H2,12,14)
InChIKeyZACIGHHWMWRYSZ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.87
Rot. Bonds1

About 4-(1H-indol-3-yl)-1,3-thiazol-2-amine

4-(1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 804966) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID804966
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-(1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C11H9N3S/c12-11-14-10(6-15-11)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H,(H2,12,14)
InChIKeyZACIGHHWMWRYSZ-UHFFFAOYSA-N
XLogP2.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-1,3-thiazol-2-amine (CID 804966) is 4-(1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-1,3-thiazol-2-amine is Nc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 4-(1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is ZACIGHHWMWRYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-11-14-10(6-15-11)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H,(H2,12,14).
What are the key properties of 4-(1H-indol-3-yl)-1,3-thiazol-2-amine?
4-(1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 215.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 804966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).