methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate

C10H7Cl2N3O2S — CID 22677430

IUPACmethyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncs2)c(Cl)c(N)c1Cl
InChIInChI=1S/C10H7Cl2N3O2S/c1-17-10(16)9-6(12)7(13)5(11)8(15-9)4-2-14-3-18-4/h2-3H,1H3,(H2,13,15)
InChIKeyMVTAFOBJWUKVOK-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.88
Rot. Bonds2

About methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate

methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate (PubChem CID 22677430) has the molecular formula C10H7Cl2N3O2S and a molecular weight of 304.16 g/mol. Its IUPAC name is methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate
PubChem CID22677430
Molecular FormulaC10H7Cl2N3O2S
Molecular Weight304.16 g/mol
Exact Mass302.96
IUPAC Namemethyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncs2)c(Cl)c(N)c1Cl
InChIInChI=1S/C10H7Cl2N3O2S/c1-17-10(16)9-6(12)7(13)5(11)8(15-9)4-2-14-3-18-4/h2-3H,1H3,(H2,13,15)
InChIKeyMVTAFOBJWUKVOK-UHFFFAOYSA-N
XLogP2.88
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate (CID 22677430) is methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate is COC(=O)c1nc(-c2cncs2)c(Cl)c(N)c1Cl.
What is the InChIKey of methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate?
The InChIKey is MVTAFOBJWUKVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2S/c1-17-10(16)9-6(12)7(13)5(11)8(15-9)4-2-14-3-18-4/h2-3H,1H3,(H2,13,15).
What are the key properties of methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate?
methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate has a molecular weight of 304.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3,5-dichloro-6-(1,3-thiazol-5-yl)pyridine-2-carboxylate is sourced from PubChem (CID 22677430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).