methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate

C11H11N3O2S — CID 80572957

IUPACmethyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccnc2C)s1
InChIInChI=1S/C11H11N3O2S/c1-7-8(4-3-5-12-7)14-11-13-6-9(17-11)10(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyNXCPHWASHSGXJH-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80572957) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80572957
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2cccnc2C)s1
InChIInChI=1S/C11H11N3O2S/c1-7-8(4-3-5-12-7)14-11-13-6-9(17-11)10(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyNXCPHWASHSGXJH-UHFFFAOYSA-N
XLogP2.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate (CID 80572957) is methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2cccnc2C)s1.
What is the InChIKey of methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is NXCPHWASHSGXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-8(4-3-5-12-7)14-11-13-6-9(17-11)10(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).