methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate

C15H13N3O3S — CID 155146767

IUPACmethyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC
InChIInChI=1S/C15H13N3O3S/c1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11/h3-7H,1-2H3,(H2,16,18)
InChIKeyQVOMQNBRCLJXRZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.74
Rot. Bonds3

About methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate

methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate (PubChem CID 155146767) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate
PubChem CID155146767
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Namemethyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC
InChIInChI=1S/C15H13N3O3S/c1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11/h3-7H,1-2H3,(H2,16,18)
InChIKeyQVOMQNBRCLJXRZ-UHFFFAOYSA-N
XLogP2.74
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate (CID 155146767) is methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate is COC(=O)c1cc(-c2ccc3nc(N)sc3c2)cnc1OC.
What is the InChIKey of methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate?
The InChIKey is QVOMQNBRCLJXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-20-13-10(14(19)21-2)5-9(7-17-13)8-3-4-11-12(6-8)22-15(16)18-11/h3-7H,1-2H3,(H2,16,18).
What are the key properties of methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate?
methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate has a molecular weight of 315.35 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 155146767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).