4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine

C9H9N3OS — CID 105064795

IUPAC4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1cnccc1-c1csc(N)n1
InChIInChI=1S/C9H9N3OS/c1-13-8-4-11-3-2-6(8)7-5-14-9(10)12-7/h2-5H,1H3,(H2,10,12)
InChIKeyCSJOQENDDLHIAM-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.80
Rot. Bonds2

About 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine

4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 105064795) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine
PubChem CID105064795
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1cnccc1-c1csc(N)n1
InChIInChI=1S/C9H9N3OS/c1-13-8-4-11-3-2-6(8)7-5-14-9(10)12-7/h2-5H,1H3,(H2,10,12)
InChIKeyCSJOQENDDLHIAM-UHFFFAOYSA-N
XLogP1.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine (CID 105064795) is 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine is COc1cnccc1-c1csc(N)n1.
What is the InChIKey of 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is CSJOQENDDLHIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-13-8-4-11-3-2-6(8)7-5-14-9(10)12-7/h2-5H,1H3,(H2,10,12).
What are the key properties of 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine?
4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 105064795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).