ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

C11H15N3S — CID 91452477

IUPACethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC.Cc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C9H9N3S.C2H6/c1-7-6-11-9(13-7)12-8-4-2-3-5-10-8;1-2/h2-6H,1H3,(H,10,11,12);1-2H3
InChIKeyVGPQQHMMJYXNGE-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.62
Rot. Bonds2

About ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine

ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 91452477) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID91452477
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Nameethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESCC.Cc1cnc(Nc2ccccn2)s1
InChIInChI=1S/C9H9N3S.C2H6/c1-7-6-11-9(13-7)12-8-4-2-3-5-10-8;1-2/h2-6H,1H3,(H,10,11,12);1-2H3
InChIKeyVGPQQHMMJYXNGE-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 91452477) is ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is CC.Cc1cnc(Nc2ccccn2)s1.
What is the InChIKey of ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is VGPQQHMMJYXNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S.C2H6/c1-7-6-11-9(13-7)12-8-4-2-3-5-10-8;1-2/h2-6H,1H3,(H,10,11,12);1-2H3.
What are the key properties of ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine?
ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 91452477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).