2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide

C12H14N4O2S — CID 75447148

IUPAC2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide
SMILESCOc1ncc(NCc2csc(C)n2)cc1C(N)=O
InChIInChI=1S/C12H14N4O2S/c1-7-16-9(6-19-7)5-14-8-3-10(11(13)17)12(18-2)15-4-8/h3-4,6,14H,5H2,1-2H3,(H2,13,17)
InChIKeyZMOYRMLISOUNIZ-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.57
Rot. Bonds5

About 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide

2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide (PubChem CID 75447148) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide
PubChem CID75447148
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide
SMILESCOc1ncc(NCc2csc(C)n2)cc1C(N)=O
InChIInChI=1S/C12H14N4O2S/c1-7-16-9(6-19-7)5-14-8-3-10(11(13)17)12(18-2)15-4-8/h3-4,6,14H,5H2,1-2H3,(H2,13,17)
InChIKeyZMOYRMLISOUNIZ-UHFFFAOYSA-N
XLogP1.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide (CID 75447148) is 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide is COc1ncc(NCc2csc(C)n2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is ZMOYRMLISOUNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-16-9(6-19-7)5-14-8-3-10(11(13)17)12(18-2)15-4-8/h3-4,6,14H,5H2,1-2H3,(H2,13,17).
What are the key properties of 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide?
2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 75447148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).