N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide

C14H10FN5O2S — CID 51038608

IUPACN-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESO=C(Nc1nc(CF)cs1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C14H10FN5O2S/c15-4-9-7-23-14(19-9)20-13(21)12-3-10(1-2-18-12)22-11-5-16-8-17-6-11/h1-3,5-8H,4H2,(H,19,20,21)
InChIKeyAHESFMTZWHPOII-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.84
Rot. Bonds5

About N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide

N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide (PubChem CID 51038608) has the molecular formula C14H10FN5O2S and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide
PubChem CID51038608
Molecular FormulaC14H10FN5O2S
Molecular Weight331.33 g/mol
Exact Mass331.05
IUPAC NameN-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide
SMILESO=C(Nc1nc(CF)cs1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C14H10FN5O2S/c15-4-9-7-23-14(19-9)20-13(21)12-3-10(1-2-18-12)22-11-5-16-8-17-6-11/h1-3,5-8H,4H2,(H,19,20,21)
InChIKeyAHESFMTZWHPOII-UHFFFAOYSA-N
XLogP2.84
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The IUPAC name of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide (CID 51038608) is N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide is O=C(Nc1nc(CF)cs1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide?
The InChIKey is AHESFMTZWHPOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2S/c15-4-9-7-23-14(19-9)20-13(21)12-3-10(1-2-18-12)22-11-5-16-8-17-6-11/h1-3,5-8H,4H2,(H,19,20,21).
What are the key properties of N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide?
N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethyl)-1,3-thiazol-2-yl]-4-pyrimidin-5-yloxypyridine-2-carboxamide is sourced from PubChem (CID 51038608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).