5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C17H16N6S — CID 133299717

IUPAC5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(c2ccccc2)c2nccs2)n2ncnc2n1
InChIInChI=1S/C17H16N6S/c1-2-13-10-14(23-17(21-13)19-11-20-23)22-15(16-18-8-9-24-16)12-6-4-3-5-7-12/h3-11,15,22H,2H2,1H3
InChIKeyMWWVTLIWCHQDQO-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.34
Rot. Bonds5

About 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133299717) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133299717
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC(c2ccccc2)c2nccs2)n2ncnc2n1
InChIInChI=1S/C17H16N6S/c1-2-13-10-14(23-17(21-13)19-11-20-23)22-15(16-18-8-9-24-16)12-6-4-3-5-7-12/h3-11,15,22H,2H2,1H3
InChIKeyMWWVTLIWCHQDQO-UHFFFAOYSA-N
XLogP3.34
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133299717) is 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC(c2ccccc2)c2nccs2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MWWVTLIWCHQDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-2-13-10-14(23-17(21-13)19-11-20-23)22-15(16-18-8-9-24-16)12-6-4-3-5-7-12/h3-11,15,22H,2H2,1H3.
What are the key properties of 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 336.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133299717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).