3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide

C18H15N5O2S — CID 133286200

IUPAC3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n2ncnc2n1
InChIInChI=1S/C18H15N5O2S/c1-11-7-8-26-16(11)17(24)22-13-3-5-14(6-4-13)25-15-9-12(2)21-18-19-10-20-23(15)18/h3-10H,1-2H3,(H,22,24)
InChIKeyVVBQSDCAGOYXHS-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.85
Rot. Bonds4

About 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide

3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide (PubChem CID 133286200) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide
PubChem CID133286200
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n2ncnc2n1
InChIInChI=1S/C18H15N5O2S/c1-11-7-8-26-16(11)17(24)22-13-3-5-14(6-4-13)25-15-9-12(2)21-18-19-10-20-23(15)18/h3-10H,1-2H3,(H,22,24)
InChIKeyVVBQSDCAGOYXHS-UHFFFAOYSA-N
XLogP3.85
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide (CID 133286200) is 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide is Cc1cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n2ncnc2n1.
What is the InChIKey of 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide?
The InChIKey is VVBQSDCAGOYXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-11-7-8-26-16(11)17(24)22-13-3-5-14(6-4-13)25-15-9-12(2)21-18-19-10-20-23(15)18/h3-10H,1-2H3,(H,22,24).
What are the key properties of 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 133286200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).