N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C14H10FN5O2S — CID 118707830

IUPACN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)cs1
InChIInChI=1S/C14H10FN5O2S/c1-8-18-11(7-23-8)14(21)20-12-5-17-6-13(19-12)22-10-2-9(15)3-16-4-10/h2-7H,1H3,(H,19,20,21)
InChIKeyMWCDSURWKAHBET-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.82
Rot. Bonds4

About N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 118707830) has the molecular formula C14H10FN5O2S and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID118707830
Molecular FormulaC14H10FN5O2S
Molecular Weight331.33 g/mol
Exact Mass331.05
IUPAC NameN-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)cs1
InChIInChI=1S/C14H10FN5O2S/c1-8-18-11(7-23-8)14(21)20-12-5-17-6-13(19-12)22-10-2-9(15)3-16-4-10/h2-7H,1H3,(H,19,20,21)
InChIKeyMWCDSURWKAHBET-UHFFFAOYSA-N
XLogP2.82
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 118707830) is N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cncc(Oc3cncc(F)c3)n2)cs1.
What is the InChIKey of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is MWCDSURWKAHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2S/c1-8-18-11(7-23-8)14(21)20-12-5-17-6-13(19-12)22-10-2-9(15)3-16-4-10/h2-7H,1H3,(H,19,20,21).
What are the key properties of N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118707830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).