acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine

C10H11N3O2S — CID 174590691

IUPACacetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine
SMILESCC(=O)O.Nc1ccc(-c2nccs2)nc1
InChIInChI=1S/C8H7N3S.C2H4O2/c9-6-1-2-7(11-5-6)8-10-3-4-12-8;1-2(3)4/h1-5H,9H2;1H3,(H,3,4)
InChIKeyQXHBXAVFKAXIFD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.88
Rot. Bonds1

About acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine

acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine (PubChem CID 174590691) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine.

Molecular Properties

Compound Nameacetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine
PubChem CID174590691
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Nameacetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine
SMILESCC(=O)O.Nc1ccc(-c2nccs2)nc1
InChIInChI=1S/C8H7N3S.C2H4O2/c9-6-1-2-7(11-5-6)8-10-3-4-12-8;1-2(3)4/h1-5H,9H2;1H3,(H,3,4)
InChIKeyQXHBXAVFKAXIFD-UHFFFAOYSA-N
XLogP1.88
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine?
The IUPAC name of acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine (CID 174590691) is acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine.
What is the SMILES notation for acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine?
The canonical SMILES for acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine is CC(=O)O.Nc1ccc(-c2nccs2)nc1.
What is the InChIKey of acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine?
The InChIKey is QXHBXAVFKAXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S.C2H4O2/c9-6-1-2-7(11-5-6)8-10-3-4-12-8;1-2(3)4/h1-5H,9H2;1H3,(H,3,4).
What are the key properties of acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine?
acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine has a molecular weight of 237.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-(1,3-thiazol-2-yl)pyridin-3-amine is sourced from PubChem (CID 174590691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).