methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate

C14H11N3O2S — CID 80570737

IUPACmethyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccc3ncccc23)s1
InChIInChI=1S/C14H11N3O2S/c1-19-13(18)12-8-16-14(20-12)17-11-6-2-5-10-9(11)4-3-7-15-10/h2-8H,1H3,(H,16,17)
InChIKeyUQLWTPNCEQFUJX-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.22
Rot. Bonds3

About methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate

methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 80570737) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID80570737
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Namemethyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccc3ncccc23)s1
InChIInChI=1S/C14H11N3O2S/c1-19-13(18)12-8-16-14(20-12)17-11-6-2-5-10-9(11)4-3-7-15-10/h2-8H,1H3,(H,16,17)
InChIKeyUQLWTPNCEQFUJX-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate (CID 80570737) is methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2cccc3ncccc23)s1.
What is the InChIKey of methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is UQLWTPNCEQFUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-13(18)12-8-16-14(20-12)17-11-6-2-5-10-9(11)4-3-7-15-10/h2-8H,1H3,(H,16,17).
What are the key properties of methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate?
methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 285.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).