4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C16H15FN4OS — CID 170674866

IUPAC4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2csc(Nc3ncc(F)cc3C)n2)nc1
InChIInChI=1S/C16H15FN4OS/c1-3-22-12-4-5-13(18-8-12)14-9-23-16(20-14)21-15-10(2)6-11(17)7-19-15/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyVNDPVSOHTORBBL-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.19
Rot. Bonds5

About 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 170674866) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID170674866
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC Name4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(-c2csc(Nc3ncc(F)cc3C)n2)nc1
InChIInChI=1S/C16H15FN4OS/c1-3-22-12-4-5-13(18-8-12)14-9-23-16(20-14)21-15-10(2)6-11(17)7-19-15/h4-9H,3H2,1-2H3,(H,19,20,21)
InChIKeyVNDPVSOHTORBBL-UHFFFAOYSA-N
XLogP4.19
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 170674866) is 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine is CCOc1ccc(-c2csc(Nc3ncc(F)cc3C)n2)nc1.
What is the InChIKey of 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is VNDPVSOHTORBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-3-22-12-4-5-13(18-8-12)14-9-23-16(20-14)21-15-10(2)6-11(17)7-19-15/h4-9H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 330.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-2-pyridinyl)-N-(5-fluoro-3-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 170674866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).